CAS 134108-92-2 (1S,2S)-2-Methoxycyclohexanol (HCID 10197706)

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Basic information

CAS: 134108-92-2
Standard SMILES: CO[C@H]1CCCC[C@@H]1O
InChIKey: DCQQZLGQRIVCNH-BQBZGAKWSA-N
Molecular formula: C7H14O2
Average molar mass: 130.18 g/mol

Names & identifiers

Preferred name: (1S,2S)-2-Methoxycyclohexanol
IUPAC: trans-(1S,2S)-2-methoxycyclohexan-1-ol
English name: (1S,2S)-(+)-2-Methoxycyclohexanol
Molecular formula: C7H14O2
Molecular weight: 130.18

Names & synonyms

(1S,2S)-2-METHOXYCYCLOHEXANOL134108-92-2(1S,2S)-(+)-2-Methoxycyclohexanol(1S,2S)-2-METHOXYCYCLOHEXAN-1-OL134108-68-2Rac-(1R,2R)-2-methoxycyclohexan-1-ol, transCyclohexanol, 2-methoxy-, (1S,2S)-MFCD00211253SCHEMBL2429552DCQQZLGQRIVCNH-BQBZGAKWSA-N(1s,2s)-trans-2-methoxycyclohexanolAKOS016843369

Show more names

S-MOL(1S,2S)-METHOXYCYCLOHEXANOL(1S, 2S)-2-METHOXYCYLOHEXANOL(1S,2S)-(+)-2-METHOXYCYCLOHEXANOL: CHIPROS 99%, EE 98%

AS-61587(1S,2S)-2-Methoxycyclohexanol, AldrichCPRCS-0256442A12017

Database identifiers

CAS: 134108-92-2
PubChem CID: 10197706
EC Number: 681-024-4
Nikkaji: J479.196G

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 83

Physicochemical properties

Boiling point: 195 °C · 195°C
Density: 1 · 1,015 g/cm3
refractive index: 1.4595 · 1.4595
Flash point: 195 °C · 195°C
storage temp.: 2 · 2-8°C
pka: 14.67 · 14.67±0.40(Predicted)
BRN: 1848990 · 1848990
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Hazard Codes: Xn
Risk Statements: 36 · 36/38-22
Safety Statements: 26 · 26-36

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Safety data

risk_code: 36/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-36
Hazard statements: H315-H319
Precautionary statements: P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313