Menthadienyl acetate
Basic information
- CAS
71660-03-2- Standard SMILES
C=C(C)C1CCC(=C)C(OC(C)=O)C1- InChIKey
CCLNPVCMIJDJLR-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Overview
See also: P-1(7)8-Menthadien-2-yl acetate (annotation moved to).
Names & identifiers
- Preferred name
- Menthadienyl acetate
- IUPAC
- (2-methylidene-5-prop-1-en-2-ylcyclohexyl) acetate
- English name
- Cisandtrans-para-1(7)8-menthadien-2-ylacetate
- Molecular formula
- C12H18O2
- Molecular weight
- 194.27
Names & synonyms
Menthadienyl acetate2-methylidene-5-(prop-1-en-2-yl)cyclohexyl acetateRefChem:810954UNII-R0Y6Z84L2TSCHEMBL11877583FEMA 3848DTXSID50869381NS001206342-Methylene-5-(1-methylethenyl)cyclohexyl acetate(Z+E)-para-1(7)8-menthadien-2-yl acetatecis+trans-para-1(7)8-menthadien-2-yl acetateCisandtrans-para-1(7)8-menthadien-2-ylacetate
Show more names
CIS- AND TRANS-P-1(7),8-MENTHADIEN-2-YL ACETATECyclohexanol, 2-methylene-5-(1-methylethenyl)-, 1-acetate
Database identifiers
- CAS
71660-03-2- PubChem CID
- 524461
- DTXSID
DTXSID50869381- Nikkaji
- J919.818K
Properties
Computed structural properties
- XLogP
- 2.9
- 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
- 265
Physicochemical properties
- Boiling point
- 243.9 · 243.9±40.0 °C(Predicted)
- Density
- 0.95 · 0.95±0.1 g/cm3(Predicted)
- FEMA
- 3848 · 3848 | CIS- AND TRANS-P-1(7),8-MENTHADIEN-2-YL ACETATE
- FLAVIS Number
- 9.93 · 09.930 | Cyclohexyl, 2-methylene-5-(1-methylethenyl) acetate
- Odor
- 100 % · at 100.00 %. minty spearmint
- Odor Type
- fruity
- JECFA Number
- 1098 · 1098
- Cosmetics Ingredients Functions
- FLAVOURING
- LogP
- 3.39 · 3.39
- FDA UNII
- 0 Y6Z84L2T · R0Y6Z84L2T
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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