(+)-8-Phenylmenthol

HCID 577105CAS 57707-91-2

Substructure search Find similar structures

Basic information

Standard SMILES: CC1CCC(C(C)(C)c2ccccc2)C(O)C1
InChIKey: WTQIZFCJMGWUGZ-QEJZJMRPSA-N
Molecular formula: C16H24O
Average molar mass: 232.36 g/mol

Names & identifiers

Preferred name: (+)-8-Phenylmenthol
IUPAC: 5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
English name: (+)-8-PHENYLMENTHOL
Molecular formula: C16H24O
Molecular weight: 232.36

Names & synonyms

(+)-8-Phenylmenthol57707-91-2RefChem:390563634-672-78-phenylmenthol5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-olSCHEMBL927770SCHEMBL4395925AKOS009157095DB-054786DB-0723615-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexanol

Show more names

5-Methyl-2-(2-phenylpropan-2-yl)cyclohexanolCyclohexanol, 5-methyl-2-(1-methyl-1-phenylethyl)-, (1S,2R,5S)-

5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexanol #Cyclohexanol, 5-methyl-2-(1-methyl-1-phenylethyl)-134256-18-1

Database identifiers

CAS: 57707-91-2
PubChem CID: 577105
EC Number: 634-672-7
Nikkaji: J1.198.626I

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 240

Physicochemical properties

Boiling point: 82 · 82-83 °C(Press: 0.01 Torr)
Density: 0.999 g/mL · 0.999 g/mL at 20 °C (lit.)
refractive index: 20 · n20/D 1.531
storage temp.: 2 · 2-8°C
form: liquid
pka: 15.214 · 15.214±0.60(predicted)
optical activity: 20 · [α]20/D +26±1°, c = 2% in ethanol
BRN: 5265529 · 5265529
InChI: 1S/C16H24O/c1-12-9-10-14(15(17)11-12)16(2,3)13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3/t12-,14-,15-/m0/s1
InChIKey: WTQIZFCJMGWUGZ-QEJZJMRPSA-N
SMILES: C[C@H]1CC[C@@H]([C@@H](O)C1)C(C)(C)c2ccccc2
UNSPSC Code: 12352002 · 12352002
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
F: 3 · 3-8-10
Storage Class: 12 · 12 - Non Combustible Liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 3-8-10
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 12 - Non Combustible Liquids
Hazard statements: H319-H315-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P