Menthyl acetate - CAS 89-48-5

Catalog:	BB039499
Product Name:	Menthyl acetate
CAS:	89-48-5
Synonyms:	Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,5R)-rel-; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1R,2S,5R)-rel-; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1α,2β,5α)-; Menthol, acetate, cis-1,3,trans-1,4-; (±)-Menthol acetate; (±)-Menthyl acetate; dl-Menthyl acetate; rel-(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl acetate

Technical Data

Related CAS:	29066-34-0 (Deleted CAS)
IUPAC Name:	rel-(1R,2S,5R)-(5-methyl-2-propan-2-ylcyclohexyl) acetate
Molecular Weight:	198.30
Molecular Formula:	C12H22O2
Canonical SMILES:	O=C(OC1CC(C)CCC1C(C)C)C
InChI:	InChI=1/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/s2
InChI Key:	XHXUANMFYXWVNG-GMUICDJXNA-N
Boiling Point:	227°C
Melting Point:	<25°C
Flash Point:	198 °F
Purity:	95%
Density:	0.92±0.1 g/cm3
Solubility:	Soluble in Water
Appearance:	Clear Colorless Liquid
Storage:	Store at RT
Decomposition:	When heated to decomposition it emits acrid smoke and irritating vaors
MDL:	MFCD00062975
LogP:	3.01030
Refractive Index:	1.447
Stability:	Stable at normal temperatures and pressures.
Vapor Pressure:	0.05 [mmHg]

GHS Hazard Statement:	H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P273, P391, and P501
Signal Word:	Warning

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EP-3900696-A1	Encapsulated fragrance composition	20200421
EP-3900697-A1	Fragrance composition	20200421
US-2021324298-A1	Fragrance composition	20200421
US-2021324299-A1	Encapsulated fragrance composition	20200421
WO-2021122889-A1	Methods for cleaning and caring for an automatic dishwasher	20191220

PMID	Publication Date	Title	Journal
22789458	20121201	Antioxidant and antibacterial effects of Lavandula and Mentha essential oils in minced beef inoculated with E. coli O157:H7 and S. aureus during storage at abuse refrigeration temperature	Meat science
22474965	20120201	Composition of seed essential oils of Rhododendron tomentosum	Natural product communications
21797021	20110501	Development of quality assessment method for optically active food flavor chemicals	Journal of AOAC International
21326141	20110215	Peppermint oil decreases the production of virulence-associated exoproteins by Staphylococcus aureus	Molecules (Basel, Switzerland)
20638431	20101001	An efficient bioprocess for enzymatic production of L-menthol with high ratio of substrate to catalyst using whole cells of recombinant E. coli	Journal of biotechnology

Complexity:	199
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.161979940
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.161979940
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	3
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6