3681-71-8
Product Name:
cis-3-Hexenyl Acetate
Formula:
C8H14O2
Synonyms:
(3Z)-3-Hexen-1-ol acetate;(3Z)-C-3-Hexenyl acetate;Leaf acetate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Boiling Point | 75.00 to 76.00 °C. @ 23.00 mm Hg |
| Solubility | 0.9 g/L @ 20 °C (exp) |
| Density | 0.896-0.901 |
| Refractive Index | 1.425-1.429 |
| Kovats Retention Index | 987 981 981 985 984 984 984 984 989 990.2 983 986 969 989 989 996 996 992 976 976.4 982 978 986 990 988 988 1002 995 983 986 1006 1005 1006 1006 997 985 986 1001 979 987 979 989 991 988 983 986 991 989 980 988 988 986 979 980 983 986 986 985 986 985 987 985 986 986 986 987 987 991 969 987 991 986 1000 986.5 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H226:Flammable liquids |
| 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. P243:Take precautionary measures against static discharge. |
COMPUTED DESCRIPTORS
| Molecular Weight | 142.20 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 142.099379685 g/mol |
| Monoisotopic Mass | 142.099379685 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 116 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(3Z)-hex-3-en-1-yl acetate is an acetate ester that results from the formal condensation of acetic acid with (Z)-hex-3-en-1-ol. It has a role as a metabolite. It is an acetate ester and an olefinic compound. It is functionally related to a (Z)-hex-3-en-1-ol and an acetic acid.