| Product name | 3,5,5-Trimethylhexanal |
|---|
| Product number | - |
|---|---|
| Other names | 3,5,5-TRIMETHYLHEXANAL |
| Identified uses | For industry use only. Food additives -> Flavoring Agents |
|---|---|
| Uses advised against | no data available |
| 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 |
| Emergency phone number | +86-400-6021-666 |
|---|---|
| Service hours | Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours). |
Flammable liquids, Category 3
Skin irritation, Category 2
Skin sensitization, Category 1
Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3
2.2 GHS label elements, including precautionary statements| Pictogram(s) |   |
|---|---|
| Signal word | Warning |
| Hazard statement(s) | H226 Flammable liquid and vapour H315 Causes skin irritation H317 May cause an allergic skin reaction H412 Harmful to aquatic life with long lasting effects |
| 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. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace. 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. P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P333+P313 If skin irritation or rash occurs: Get medical advice/attention. |
| Storage | P403+P235 Store in a well-ventilated place. Keep cool. |
| Disposal | P501 Dispose of contents/container to ... |
none
3.Composition/information on ingredients 3.1 Substances| Chemical name | Common names and synonyms | CAS number | EC number | Concentration |
|---|---|---|---|---|
| 3,5,5-Trimethylhexanal | 3,5,5-Trimethylhexanal | 5435-64-3 | none | 100% |
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaledIf breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contactWash off with soap and plenty of water. Consult a physician.
In case of eye contactRinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowedNever give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
4.2 Most important symptoms/effects, acute and delayedno data available
4.3 Indication of immediate medical attention and special treatment needed, if necessaryno data available
5.Fire-fighting measures 5.1 Extinguishing media Suitable extinguishing mediaProtective Equipment for Firefighting: Wear self-contained breathing apparatus and protective clothing to prevent contact with skin and eyes.
5.2 Specific hazards arising from the chemicalno data available
5.3 Special protective actions for fire-fightersWear self-contained breathing apparatus for firefighting if necessary.
6.Accidental release measures 6.1 Personal precautions, protective equipment and emergency proceduresUse 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 precautionsPrevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.
6.3 Methods and materials for containment and cleaning upAbsorb on sand or vermiculite and place in closed containers for disposal. Ventilate area and wash spill site after material pickup is complete.
7.Handling and storage 7.1 Precautions for safe handlingAvoid 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 incompatibilitiesStore under inert gas. Keep tightly closed. Keep away from heat and open flame. Store in a cool dry place. Special requirements: Store under inert gas.
8.Exposure controls/personal protection 8.1 Control parameters Occupational Exposure limit valuesno data available
Biological limit valuesno data available
8.2 Appropriate engineering controlsHandle 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 protectionSafety 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 protectionWear 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 protectionWear dust mask when handling large quantities.
Thermal hazardsno data available
9.Physical and chemical properties| Physical state | no data available |
|---|---|
| Colour | no data available |
| Odour | no data available |
| Melting point/ freezing point | -135°C(lit.) |
| Boiling point or initial boiling point and boiling range | 167°C |
| Flammability | no data available |
| Lower and upper explosion limit / flammability limit | no data available |
| Flash point | 46°C(lit.) |
| Auto-ignition temperature | no data available |
| Decomposition temperature | no data available |
| pH | no data available |
| Kinematic viscosity | 1.4 millipascal-sec at 20°C |
| Solubility | Water solubility = 0.01% at 20°C |
| Partition coefficient n-octanol/water (log value) | log Kow = 3.09 (est) |
| Vapour pressure | 0.08 mm Hg at 25°C (extrapolated) |
| Density and/or relative density | 0.813g/cm3 |
| Relative vapour density | no data available |
| Particle characteristics | no data available |
no data available
10.2 Chemical stabilityStable under recommended storage conditions.
10.3 Possibility of hazardous reactionsno data available
10.4 Conditions to avoidno data available
10.5 Incompatible materialsMaterials to Avoid: Strong oxidizing agents, Strong bases.
10.6 Hazardous decomposition productsWhen heated to decomposition it emits acrid smoke and irritating vapors.
11.Toxicological information Acute toxicity- Oral: LD50 Rat oral 3240 mg/kg
- Inhalation: no data available
- Dermal: no data available
no data available
Serious eye damage/irritationno data available
Respiratory or skin sensitizationno data available
Germ cell mutagenicityno data available
Carcinogenicityno data available
Reproductive toxicityno data available
STOT-single exposureno data available
STOT-repeated exposureno data available
Aspiration hazardno data available
12.Ecological information 12.1 Toxicity- Toxicity to fish: no data available
- Toxicity to daphnia and other aquatic invertebrates: no data available
- Toxicity to algae: no data available
- Toxicity to microorganisms: no data available
no data available
12.3 Bioaccumulative potentialAn estimated BCF of 47 was calculated in fish for 3,5,5-trimethylhexanal(SRC), using an estimated log Kow of 3.09(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC).
12.4 Mobility in soilUsing a structure estimation method based on molecular connectivity indices(1), the Koc of 3,5,5-trimethylhexanal can be estimated to be 62(SRC). According to a classification scheme(2), this estimated Koc value suggests that 3,5,5-trimethylhexanal is expected to have high mobility in soil.
12.5 Other adverse effectsno data available
13.Disposal considerations 13.1 Disposal methods ProductThe 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 packagingContainers 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: UN1989 | IMDG: UN1989 | IATA: UN1989 |
| ADR/RID: ALDEHYDES, N.O.S. |
| IMDG: ALDEHYDES, N.O.S. |
| IATA: ALDEHYDES, N.O.S. |
| ADR/RID: 3 | IMDG: 3 | IATA: 3 |
| ADR/RID: III | IMDG: III | IATA: III |
| ADR/RID: no | IMDG: no | IATA: no |
no data available
14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Codeno 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 |
|---|---|---|---|
| 3,5,5-Trimethylhexanal | 3,5,5-Trimethylhexanal | 5435-64-3 | 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 | Not 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. | ||
| Creation Date | Aug 12, 2017 |
|---|---|
| Revision Date | Aug 12, 2017 |
- 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%
- 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/
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