巴豆醛

1.Identification 1.1 GHS Product identifier

Product name	.β.-Methyl acrolein

1.2 Other means of identification

Product number	-
Other names	trans-2-butanal

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only. Intermediates
Uses advised against	no data available

1.4 Supplier's details

Company	MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address	Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road, Xuhui District, Shanghai, China
Telephone	+86(21)64956998
Fax	+86(21)54365166

1.5 Emergency phone number

Emergency phone number	+86-400-6021-666
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification 2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 3

Skin irritation, Category 2

Serious eye damage, Category 1

Acute toxicity - Inhalation, Category 2

Specific target organ toxicity – single exposure, Category 3

Germ cell mutagenicity, Category 2

Specific target organ toxicity – repeated exposure, Category 2

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H225 Highly flammable liquid and vapour H301 Toxic if swallowed H311 Toxic in contact with skin H315 Causes skin irritation H318 Causes serious eye damage H330 Fatal if inhaled H335 May cause respiratory irritation H341 Suspected of causing genetic defects H373 May cause damage to organs through prolonged or repeated exposure H400 Very toxic to aquatic life
Precautionary statement(s)
Prevention	P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P233 Keep container tightly closed. P240 Ground and bond container and receiving equipment. P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment. P242 Use non-sparking tools. P243 Take action to prevent static discharges. P280 Wear protective gloves/protective clothing/eye protection/face protection. P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area. P284 [In case of inadequate ventilation] wear respiratory protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P201 Obtain special instructions before use. P202 Do not handle until all safety precautions have been read and understood. P273 Avoid release to the environment.
Response	P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P370+P378 In case of fire: Use ... to extinguish. P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/… P321 Specific treatment (see ... on this label). P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/…if you feel unwell. P361+P364 Take off immediately all contaminated clothing and wash it before reuse. P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P310 Immediately call a POISON CENTER/doctor/… P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P320 Specific treatment is urgent (see ... on this label). P308+P313 IF exposed or concerned: Get medical advice/ attention. P314 Get medical advice/attention if you feel unwell. P391 Collect spillage.
Storage	P403+P235 Store in a well-ventilated place. Keep cool. P405 Store locked up. P403+P233 Store in a well-ventilated place. Keep container tightly closed.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients 3.1 Substances

Chemical name	Common names and synonyms	CAS number	EC number	Concentration
.β.-Methyl acrolein	.β.-Methyl acrolein	4170-30-3	none	100%

4.First-aid measures 4.1 Description of necessary first-aid measures General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

Fresh air, rest. Refer for medical attention. Half-upright position. Artificial respiration may be needed.

In case of skin contact

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Although slightly less toxic, crotonaldehyde is similar chemically and toxicologically to acrolein, which is rated as extremely toxic. Toxic concentrations for human inhalation have been reported at 12 mg/m3/10 minutes. Irritant dose to human eye is 45 ppm. As with acrolein, vapor exposures cause severe and painful eye irritation, damage to cornea, lacrimation (tearing), irritation of nasal membranes, pulmonary edema (filling of lungs with fluid) and gastrointestinal distress when ingested. (EPA, 1998)

This compound is an extreme eye, respiratory, and skin irritant and can cause corneal damage. A 15 minute exposure at 4.1 ppm is highly irritating to the nose and upper respiratory tract and causes tearing. Brief exposure at 45 ppm proved very disagreeable with prominent eye irritation. (EPA, 1998)

4.3 Indication of immediate medical attention and special treatment needed, if necessary

Prehospital Management. Victims exposed only to crotonaldehyde vapor do not pose contamination risks to rescuers. Victims whose clothing or skin is contaminated with liquid crotonaldehyde can secondarily contaminate response personnel by direct contact or by off-gassing vapor. Crotonaldehyde is a direct irritant to mucous membranes, skin, eyes, and the respiratory system. Acute inhalation exposure may lead to respiratory distress and noncardiogenic pulmonary edema. There is no antidote for crotonaldehyde. Treatment consists of respiratory and cardiovascular support.

5.Fire-fighting measures 5.1 Extinguishing media Suitable extinguishing media

Evacuation: If fire becomes uncontrollable or container is exposed to direct flame-consider evacuation of one-third (1/3) mile radius. /Crotonaldehyde, stabilized/

5.2 Specific hazards arising from the chemical

Vapors form explosive mixtures in air or in sewers. Hazardous peroxides and acids emitted when heated to decomposition. Avoid nitric acid. Unstable, avoid oxygen, heat, elevated pressures. Hazardous polymerization may occur. Avoid contact with alkaline materials such as caustic ammonia or amines, or at elevated temperatures. (EPA, 1998)

Flammable/combustible material; may be ignited by heat, sparks or flames. Vapor may travel to a source of ignition and flash back. Container may explode in heat of fire. Vapor explosion and poison hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Readily converted by oxygen to hazardous peroxides and acids and is incompatible with caustics, ammonia, organic amines, mineral acids, and strong oxidizers. Readily resinifies to dimer when pure and slowly oxidizes to crotonic acid. Altered by light and air. Hazardous polymerization may occur. Polymerization may take place at high temperatures. (EPA, 1998)

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures 6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Evacuate danger area! Consult an expert! Personal protection: chemical protection suit including self-contained breathing apparatus. Ventilation. Remove all ignition sources. Do NOT absorb in saw-dust or other combustible absorbents. Do NOT let this chemical enter the environment. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

6.3 Methods and materials for containment and cleaning up

Environmental considerations land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash or cement powder. Apply appropriate foam to diminish vapor and fire hazard. Add sodium bisulfite (NaHSO3). /Crotonaldehyde, stabilized/

7.Handling and storage 7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Fireproof. Separated from food and feedstuffs. See Chemical Dangers. Cool. Keep in the dark. Well closed. Store only if stabilized.Store in cool place with containers tightly sealed & away from sources of ignition or heat.

8.Exposure controls/personal protection 8.1 Control parameters Occupational Exposure limit values

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 2 ppm (6 mg/cu m).

Exposure to acetaldehyde has produced nasal tumors in rats and laryngeal tumors in hamsters, and exposure to malonaldehyde has produced thyroid gland and pancreatic islet cell tumors in rats. NIOSH therefore recommends that acetaldehyde and malonaldehyde be considered potential occupational carcinogens in conformance with the OSHA carcinogen policy. Testing has not been completed to determine the carcinogenicity of ... crotonaldehyde, ... /a/ related low-molecular-weight-aldehyde. However, the limited studies to date indicate that ... /this substance has/ chemical reactivity and mutagenicity similar to acetaldehyde and malonaldehyde. Therefore, NIOSH recommends that careful consideration should be given to reducing ... /exposure to this related aldehyde/.

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE) Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state	colourless liquid
Colour	Water-white, mobile liquid
Odour	Pungent, suffocating odor
Melting point/ freezing point	-76ºC
Boiling point or initial boiling point and boiling range	104ºC
Flammability	Class IB Flammable Liquid: Fl.P. below 22.78°C and BP at or above 37.78°C.Highly flammable. Many reactions may cause fire or explosion.
Lower and upper explosion limit / flammability limit	IN AIR % BY VOL-- LOWER 2.1, UPPER 15.5
Flash point	8.89°C
Auto-ignition temperature	232.22°C (USCG, 1999)
Decomposition temperature	no data available
pH	no data available
Kinematic viscosity	no data available
Solubility	less than 0.1 mg/mL at 18.5°C
Partition coefficient n-octanol/water (log value)	log Kow = 0.60 (est)
Vapour pressure	19 mm Hg at 20°C (EPA, 1998)
Density and/or relative density	0.853 g/mL at 20ºC
Relative vapour density	2.41 (EPA, 1998) (Relative to Air)
Particle characteristics	no data available

10.Stability and reactivity 10.1 Reactivity

no data available

10.2 Chemical stability

MAY DETERIORATE IN NORMAL STORAGE & CAUSE HAZARD.

10.3 Possibility of hazardous reactions

Fire hazard ... when exposed to heat or flame; can react with oxidizing materials.The vapour is heavier than air and may travel along the ground; distant ignition possible.(E)-CROTONALDEHYDE is an aldehyde. It can react violently with strong oxidizing reagents, e.g., reaction with conc. nitric acid leads to instantaneous ignition [Andrussow, L., Chim. Ind. (Paris), 1961, 86, p. 542]. In contact with strong acids or bases it will undergo an exothermic condensation reaction. Reaction with 1,3-butadiene is particularly violent [Greenlee, K. W., Chem. Eng. News, 1948, 26, p. 1985]. Crotonaldehyde may rapidly polymerize with ethyl acetoacetate (Soriano, D.S. et al. 1988. Journal of Chemical Education 65:637.).

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

The Diels-Adler reaction between ... /1,3-butadiene & crotonaldehyde/ under pressure is a logical approach to the prepn of a number of cyclic aldehydes, alcohols, & hydrocarbons. A destructive explosion, including a secondary gas explosion, occurred in carrying out this reaction.

10.6 Hazardous decomposition products

no data available

11.Toxicological information Acute toxicity

• Oral: LD50 Rat oral 206 mg/kg
• Inhalation: LC50 Rat inhalation 200 mg/cu m/ 2hr
• Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

CLASSIFICATION: C; possible human carcinogen. BASIS FOR CLASSIFICATION: Based on no human data and an increased incidence of hepatocellular carcinomas and hepatic neoplastic nodules (combined) in male F344 rats. The possible carcinogenicity of crotonaldehyde is supported by genotoxic activity and the expected reactivity of croton oil and aldehyde. Crotonaldehyde is also a suspected metabolite of N-nitrosopyrrolidine, a probable human carcinogen. HUMAN CARCINOGENICITY DATA: None. ANIMAL CARCINOGENICITY DATA: Limited.

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information 12.1 Toxicity

• Toxicity to fish: LC50; Species: Lepomis macrochirus (Bluegill sunfish); Conditions: static bioassay in fresh water at 23°C with mild aeration applied after 24 hr; Concentration: 3.5 ppm for 96 hr (85% aqueous)
• Toxicity to daphnia and other aquatic invertebrates: EC50; Species: Daphnia magna (Water flea); Conditions: freshwater, static; Concentration: 3900 ug/L for 24 hr; Effect: behavior equilibrium
• Toxicity to algae: no data available
• Toxicity to microorganisms: no data available

12.2 Persistence and degradability

Crotonaldehyde (isomer not reported) was observed to have a 5-day BODT of 37% using the AFNOR T.90 test protocol(1). (E)-Crotonaldehyde has been found to be degradable via anaerobic (methane fermentation) biotechnology(2,3).

12.3 Bioaccumulative potential

An estimated BCF value of 0.74 was calculated for (E)-crotonaldehyde(SRC), using an experimental water solubility of 150,000 mg/L at 20°C(1), and a recommended regression-derived equation(2). According to a recommended classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms will not be an important fate process(SRC).

12.4 Mobility in soil

The Koc of (E)-crotonaldehyde is estimated to be approximately 6.2(SRC), using an experimental water solubility of 150,000 mg/L at 20°C(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that (E)-crotonaldehyde has very high mobility in soil(SRC).

12.5 Other adverse effects

no data available

13.Disposal considerations 13.1 Disposal methods Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information 14.1 UN Number

ADR/RID: UN1143

IMDG: UN1143

IATA: UN1143

14.2 UN Proper Shipping Name

ADR/RID: CROTONALDEHYDE or CROTONALDEHYDE, STABILIZED

IMDG: CROTONALDEHYDE or CROTONALDEHYDE, STABILIZED

IATA: CROTONALDEHYDE or CROTONALDEHYDE, STABILIZED

14.3 Transport hazard class(es)

ADR/RID: 6.1

IMDG: 6.1

IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: I

IMDG: I

IATA: I

14.5 Environmental hazards

ADR/RID: yes

IMDG: yes

IATA: yes

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information 15.1 Safety, health and environmental regulations specific for the product in question

Chemical name	Common names and synonyms	CAS number	EC number
.β.-Methyl acrolein	.β.-Methyl acrolein	4170-30-3	none
European Inventory of Existing Commercial Chemical Substances (EINECS)			Listed.
EC Inventory			Listed.
United States Toxic Substances Control Act (TSCA) Inventory			Listed.
China Catalog of Hazardous chemicals 2015			Listed.
New Zealand Inventory of Chemicals (NZIoC)			Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS)			Listed.
Vietnam National Chemical Inventory			Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC)			Listed.

16.Other information Information on revision

Creation Date	Aug 14, 2017
Revision Date	Aug 14, 2017

Abbreviations and acronyms

• CAS: Chemical Abstracts Service
• ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
• RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
• IMDG: International Maritime Dangerous Goods
• IATA: International Air Transportation Association
• TWA: Time Weighted Average
• STEL: Short term exposure limit
• LC50: Lethal Concentration 50%
• LD50: Lethal Dose 50%
• EC50: Effective Concentration 50%

References

• IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
• HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
• IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
• eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
• CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
• ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
• ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
• Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
• ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.