142-92-7
Product Name:
Hexyl acetate
Formula:
C8H16O2
Synonyms:
Acetic acid hexyl ester;Capryl acetate;Hexyl acetate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Hexyl acetate appears as a colorless liquid with a mild sweet odor. Flash point 113 °F. A moderate fire risk. Inhalation may cause adverse effects. Insoluble in water and very soluble in alcohols and ethers. When heated to high temperatures emits acrid smoke and fumes. Used as a solvent and as a propellant in aerosols. |
|---|---|
| Color/Form | Colorless liquid |
| Odor | Sweet-fruity, pearl-like odor |
| Taste | BITTERSWEET TASTE SUGGESTIVE OF PEAR |
| Boiling Point | 334.4 to 338 °F at 760 mmHg (USCG, 1999) |
| Melting Point | -112 °F (USCG, 1999) |
| Flash Point | 99 °F (USCG, 1999) |
| Solubility | Very soluble in alcohol and ether |
| Density | 0.876 (USCG, 1999) - Less dense than water; will float |
| Vapor Pressure | 1.32 [mmHg] |
| LogP | 2.870 |
| Henry's Law Constant | Henry's Law constant = 5.3X10-4 atm-cu m/mol at 25 °C |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| Refractive Index | Index of refraction: 1.4092 at 20 °C |
| Kovats Retention Index | 990 1008 987 989 993 993 997 1002 991 993 990 996 993 996.5 988.13 997 997 979.2 984.6 993 993.1 1000 1004 1006 995 995 999 1008 972 1000 1002 1000 1008 972 993 1006 1007 1006 990.6 991.1 978 1004 1006 988 988 988 1002 999 996 996 1003 1006 991 990 1012 983 988 1009 1012 997 993 992 1012 995 992 1009 988 1009 995 1012 986 997 999 991 993 996 1002 1008 991.8 994 992 989.8 1005 991 992 995 995 991 993 992 1012 992 989 992 994 995 995 1012 988 990 1002 1012 994 997 997 998.7 995 990 997 996 998 1004 |
| Chemical Classes | Solvents -> Esters (<C12) |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Environment GHS09 |
| GHS Hazard Statements |
H226:Flammable liquids H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P273:Avoid release to the environment. |
COMPUTED DESCRIPTORS
| Molecular Weight | 144.21 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 144.115029749 g/mol |
| Monoisotopic Mass | 144.115029749 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 89.3 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Hexyl acetate appears as a colorless liquid with a mild sweet odor. Flash point 113 °F. A moderate fire risk. Inhalation may cause adverse effects. Insoluble in water and very soluble in alcohols and ethers. When heated to high temperatures emits acrid smoke and fumes. Used as a solvent and as a propellant in aerosols.