ChemicalBook--->CAS DataBase List--->89-46-3

89-46-3

89-46-3 Structure

89-46-3 Structure
IdentificationBack Directory
[Name]

MENTHYL SALICYLATE
[CAS]

89-46-3
[Synonyms]

Samol
menthyl
Contrasol
Salimenthol
Einecs 201-909-7
MENTHYL SALICYLATE
1-Menthyl salicylate
MENTHYL SALICYLATE(RG)
Sunburn preventive No.1
menthyl salicylate, mixture of isomers
2-Isopropyl-5-methylcyclohexyl salicylate
5-Methyl-2-(1-methylethyl)cyclohexyl 2-hydroxybenzoate
2-Hydroxybenzoic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester
Benzoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester
rel-2-Hydroxybenzoic acid (1S*)-5α*-methyl-2β*-isopropylcyclohexane-1α*-yl ester
Benzoic acid, 2-hydroxy-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, rel-
Benzoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1alpha,2beta,5alpha)-
[EINECS(EC#)]

201-909-7
[Molecular Formula]

C17H24O3
[MDL Number]

MFCD00042623
[MOL File]

89-46-3.mol
[Molecular Weight]

276.37
Chemical PropertiesBack Directory
[Appearance]

colourless to light yellow liquid
[Melting point ]

<25 °C
[Boiling point ]

186-190 °C12 mm Hg(lit.)
[density ]

1.04 g/mL at 20 °C(lit.)
[refractive index ]

n20/D 1.52
[Fp ]

100℃
[form ]

liquid
[pka]

8.10±0.30(Predicted)
[Specific Gravity]

1.05
[Odor]

Odorless or slight fruity odor
[Stability:]

Stable. Incompatible with strong oxidizing agents. Combustible.
[BRN ]

3097754
[Cosmetics Ingredients Functions]

UV ABSORBER
FRAGRANCE
[InChI]

1S/C17H24O3/c1-11(2)13-9-8-12(3)10-16(13)20-17(19)14-6-4-5-7-15(14)18/h4-7,11-13,16,18H,8-10H2,1-3H3
[InChIKey]

SJOXEWUZWQYCGL-UHFFFAOYSA-N
[SMILES]

CC(C)C1CCC(C)CC1OC(=O)c2ccccc2O
[LogP]

6.429 (est)
[EPA Substance Registry System]

Benzoic acid, 2-hydroxy-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, rel- (89-46-3)
Hazard InformationBack Directory
[Chemical Properties]

colourless to light yellow liquid
[Uses]

As a "sun screen" to filter out ultraviolet light in Preparations for preventing sunburn.
[Description]

Methyl salicylate is almost odorless when pure. Slightly bitter-astringent taste. It carries the usual characteristics of a phenol, which are not exactly welcome by the perfumer.
[Preparation]

Menthyl salicylate is produced by azeotropic esterification of Menthol with Salicylic acid, using a Benzene- or Toluene sulfonic acid catalyst.
[IC 50]

Rat SRD5A1=17.12 μM.[1]
[References]

[1] WANYU LI, YIYAN WANG*   Endocrine-Disrupting Effects of Salicylate Preservatives on Neurosteroidogenesis: Targeting 5α-Reductase Type 1[J]. Journal of Agricultural and Food Chemistry, 2024, 72 44: 24797-24807 24797-24807. DOI:10.1021/acs.jafc.4c0426510.1021/acs.jafc.4c04265.
Safety DataBack Directory
[WGK Germany ]

3
[TSCA ]

TSCA listed
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Chronic 4
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