4-Methylcyclohexanol acetate
Basic information
- CAS
13332-20-2- Standard SMILES
CC(=O)OC1CCC(C)CC1- InChIKey
VJBFCCCTSQEGMH-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- 4-Methylcyclohexanol acetate
- IUPAC
- (4-methylcyclohexyl) acetate
- English name
- 4-METHYLCYCLOHEXANOL ACETATE
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
4-Methylcyclohexanol acetate22597-23-5RefChem:10711594-Methylcyclohexyl acetate13332-20-2cis-4-Methylcyclohexyl acetate(4-methylcyclohexyl) acetateEINECS 236-383-84-Methylcyclohexyl acetate #SCHEMBL938461SCHEMBL9036931SCHEMBL13034079
Show more names
SCHEMBL16714026trans-4-methylcyclohexyl acetateDTXSID80928076VJBFCCCTSQEGMH-OTSSQURYSA-NVJBFCCCTSQEGMH-XWEPSHTISA-NNSC52969NSC 52969NSC-52969
Database identifiers
- CAS
13332-20-2、22597-23-5- PubChem CID
- 83352
- DTXSID
DTXSID80928076- EC Number
- 236-383-8
- Nikkaji
- J1.168.974D、J174.559J、J213.852B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- color
- Colorless oily liquid.
- Odor
- sweet, powerful, fruity odor
- Water Solubility
- Very slightly soluble in water
Chemistry & industry
Applications
Description4-METHYL CYCLOHEXYL ACETATE has Intensely sweet, powerful, fruity odor of Raspberry-type with herbaceous-anisic undertones. Moderate tenacity. The odor bears some resemblance to that of Methyl-paratoluate.
Uses4-METHYLCYCLOHEXANOL ACETATE could find some use in low-cost Jasmin fragrances for household products and industrial perfumes for masking purposes. Its power and low cost encourage such uses, but its harshness prevents it from becoming a standard item in the more delicate floral creations. It blends excellently with the Ionones and with Benzylacetate, AmylsalicyL, Heliotropine, Safrole, etc. for inexpensive floral compositions, inexpensive Ylang-Ylang bases, etc.
Preparation methods
Preparation4-Methylcyclohexanol acetate is produced by direct esterification of 4-Methylcyclohexanol.
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Compound notes
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