Basic information
- CAS
20777-39-3- Standard SMILES
C=C(C)C(CC=C(C)C)COC(C)=O- InChIKey
HYNGAVZPWWXQIU-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Overview
(+/-)-lavandulyl acetate has been reported in Alpinia galanga with data available.
Names & identifiers
- Preferred name
- Lavandulyl acetate
- IUPAC
- (5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate
- English name
- ACETIC ACID LAVANDULYL ESTER
- Molecular formula
- C12H20O2
- Molecular weight
- 196.29
Names & synonyms
Lavandulyl acetate25905-14-0(+/-)-Lavandulyl acetate(R)-Lavandulyl acetateacetic acid lavandulyl esterMFCD166526115-METHYL-2-(PROP-1-EN-2-YL)HEX-4-EN-1-YL ACETATE(5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate4-HEXEN-1-OL, 5-METHYL-2-(1-METHYLETHENYL)-, ACETATE4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, 1-acetateOU6ZF37MOM( inverted exclamation markA)-Lavandulyl acetate
Show more names
Lavandulyl acetate-RMLavandulyl Acetate(AS)rac-Lavandulyl Acetate(±)-Lavandulyl acetate(±)-Lavandulyl Acetate (Standard)
(+/-)-Lavandulol acetate5-Methyl-2-(1-propen-2-yl)-4-hexen-1-yl Acetate2-Isopropenyl-5-methylhex-4-enyl acetate2-Isopropenyl-5-methyl-4-hexen-1-yl acetate3-Acetoxymethyl-2,6-dimethyl-1,5-heptadiene4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, acetate, (2R)-4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, acetate, (R)-4-Hexen-1-ol, 2-isopropenyl-5-methyl-, acetate
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Boiling point
- 106 · 106-107 °C(Press: 13 Torr)
- Density
- 0.907 g/mL · 0.907 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.454
- FLAVIS Number
- 9.612 · 09.612 | Lavandulyl acetate
- Flash point
- 103 °C · 103 °C
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless to Yellow
- Stability
- Light Sensitive
- Major Application
- food and beverages
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- 1S/C12H20O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h6,12H,3,7-8H2,1-2,4-5H3
- InChIKey
- HYNGAVZPWWXQIU-UHFFFAOYSA-N
- SMILES
- CC(C(CC=C(C)C)COC(C)=O)=C
- LogP
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, acetate, (R)-
Chemical: 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, acetate
4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, acetate: Environment tier I assessment
Safety data
- wgk
- 3
- tsca
- TSCA listed
- safety_code
- 23-24/25
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, 1-acetate: ACTIVE
Applications
Uses(±)-Lavandulyl Acetate is a component of lavender oil.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers28 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海纽雀客生物科技有限公司13916276291 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…