Basic information
- CAS
19162-00-6- Standard SMILES
CC(=O)OC(C)CCC=C(C)C- InChIKey
ZAKWGQOSOHQPJA-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Overview
6-Methyl-5-hepten-2-yl acetate is a carboxylic ester.
Names & identifiers
- Preferred name
- 6-Methyl-5-hepten-2-yl acetate
- IUPAC
- 6-methylhept-5-en-2-yl acetate
- English name
- 1,5-dimethylhex-4-enyl acetate
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
6-methylhept-5-en-2-yl acetate19162-00-66-Methyl-5-hepten-2-yl acetate5-Hepten-2-ol, 6-methyl-, 2-acetate5-Hepten-2-ol, 6-methyl-, acetate6-Methyl-5-hepten-2-ol, acetateUNII-W5970P28N3SULCATOL ACETATEEINECS 242-851-2W5970P28N3FEMA NO. 4177DTXSID10864872
Show more names
6-METHYL-5-HEPTEN-2-YLACETATE1,5-diMethylhex-4-en-1-yl acetateAcetic acid 1,5-dimethyl-4-hexenyl ester
6-METHYL-5-HEPTEN-2-YL ACETATE [FHFI]RefChem:105001(+-)-SULCATOL ACETATEDTXCID70813341242-851-21,5-Dimethylhex-4-enyl acetateMFCD24503960SCHEMBL1301667
Database identifiers
- CAS
19162-00-6- PubChem CID
- 87947
- DTXSID
DTXSID10864872- ChEBI
CHEBI:180219- UNII
- W5970P28N3
- EC Number
- 242-851-2
- Nikkaji
- J224.869G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.893-0.903
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in non-polar solvents
Soluble (in ethanol)
Boiling Point
184.00 °C. @ 760.00 mm Hg
183-184 °C
Refractive Index1.420-1.429
Physical Description
Liquid
Clear colourless liquid; Fruity aroma
Physicochemical properties
- Boiling point
- 85 · 85-86 °C(Press: 17 Torr)
- Density
- 0.884 g/cm3 · 0.884 g/cm3(Temp: 22.5 °C)
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: 5-Hepten-2-ol, 6-methyl-, acetate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information5-Hepten-2-ol, 6-methyl-, 2-acetate: INACTIVE
Suppliers12 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
上海问彩新材料科技有限公司15721586846 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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