Name | 2-Ethyl-1-hexanethiol |
Synonyms | 2-ETHYLHEXANETHIOL Iso-octyl mercaptan 2-ETHYL-1-HEXANETHIO 2-Ethylhexan-1-thiol 2-Ethyl-1-hexanethiol 2-ethylhexane-1-thiol 2-ETHYL-1-HEXANETHIOL 2-Ethylhexylmercaptan 2-ETHYLHEXYLMERCAPTAN 1-Hexanethiol, 2-ethyl- |
CAS | 7341-17-5 |
EINECS | 230-854-1 |
InChI | InChI=1/C8H18S/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3 |
Molecular Formula | C8H18S |
Molar Mass | 146.29 |
Density | 0.843g/mLat 25°C |
Melting Point | -40 °C |
Boling Point | 67°C/10mmHg(lit.) |
Flash Point | 60°C |
JECFA Number | 519 |
Vapor Presure | 0.827mmHg at 25°C |
Appearance | clear liquid |
Color | Colorless to Almost colorless |
pKa | 10.34±0.10(Predicted) |
Refractive Index | n20/D 1.457 |
Physical and Chemical Properties | Colorless to light yellow liquid. Soluble in oil and ethanol. |
Hazard Symbols | Xi - Irritant |
Risk Codes | R36 - Irritating to the eyes R43 - May cause sensitization by skin contact R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. |
UN IDs | UN 3336 3/PG 3 |
WGK Germany | 3 |
HS Code | 29309090 |
Hazard Class | 3 |
Packing Group | III |
FEMA | 3833 | 2-ETHYLHEXANETHIOL |
NIST chemical information | information provided by: webbook.nist.gov (external link) |
EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
toxicity | GRAS(FEMA). |
usage limit | FEMA(mg/kg): baked goods, non-alcoholic beverages, breakfast cereals, cold drinks, sauces, meat products, dairy products, soft candy, soup, sweet sauce, 0.1~5.0; Flavoring spices 100~1000. |
Use | food flavor. |