Basic information
- CAS
5157-89-1- Standard SMILES
CC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C- InChIKey
XHXUANMFYXWVNG-WCQGTBRESA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Overview
menthyl acetate has been reported in Minthostachys mollis, Origanum cordifolium, and other organisms with data available.
Names & identifiers
- Preferred name
- (+)-Menthyl acetate
- IUPAC
- [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] acetate
- English name
- (1S)-(+)-MENTHYL ACETATE
- Molecular formula
- C12H22O2
- Molecular weight
- 198.3
Names & synonyms
5157-89-1(+)-menthyl acetateDTXSID701026539RefChem:1048972DTXCID401510705(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl acetate(1S)-(+)-Menthyl acetatementhol acetateMFCD00062977[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] acetate(dl)-Menthyl acetate(+-)-Menthol acetate
Show more names
(+)-(1S)-MENTHYL ACETATE(1S)-(+)-Menthyl acetate 99%(+)-(1S)-MENTHYL ACETATE, TERPENE STANDA RD2-Isopropyl-5-methylcyclohexyl (1S,2R,5S)-AcetateCyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1S,2R,5S)-
(+-)-Menthyl acetate(.+/-.)-Menthol acetateCYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, ACETATE, (1.ALPHA.,2.BETA.,5.ALPHA.)-(+)-Acetoxy-p-menthaneDL-p-Menth-3-yl acetateSCHEMBL891570orb19411742-Isopropyl-5-methylcyclohexyl acetate, (1.alpha.,2.beta.,5.alpha.)-
Database identifiers
- CAS
5157-89-1、89-48-5- PubChem CID
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Experimental & physicochemical properties
CosmeticsRefreshing; Masking
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (Menthyl acetate (1alpha,2beta,5alpha)) -> IFRA transparency List
Boiling Point228.00 to 229.00 °C. @ 760.00 mm Hg
Melting Point228 - 229 °C
Physical Description
Liquid
Solid
Physicochemical properties
- Melting point
- 25 °C · <25 °C
- Boiling point
- 228 · 228-229 °C (lit.)
- Density
- 0.925 g/mL · 0.925 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.446(lit.)
- Flash point
- 198 °F · 198 °F
- storage temp.
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: Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,5R)-rel-
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,5R)-rel- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,5R)-rel- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1R,2S,5R)-rel-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,5R)-rel-: Human health tier I assessment
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 2915.39.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501-P210e-P280a-P370+P378a-P501a
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
U.S. Production2023: 10,342 lb
Consumer UsesFragrance
Industry UsesFragrance
Use Classification
Fragrance Ingredients
Cosmetics -> Refreshing; Masking
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,5R)-rel-: ACTIVE
Applications
UsesRefer to the productμs Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Suppliers22 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
山东西亚化学有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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