CAS 1517-70-0 (1R)-1-(4-methoxyphenyl)ethan-1-ol (HCID 641443)

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Basic information

CAS: 1517-70-0
Standard SMILES: COc1ccc([C@@H](C)O)cc1
InChIKey: IUUULXXWNYKJSL-SSDOTTSWSA-N
Molecular formula: C9H12O2
Average molar mass: 152.19 g/mol
Monoisotopic mass: 152.08372962

Names & identifiers

Preferred name: (1R)-1-(4-methoxyphenyl)ethan-1-ol
IUPAC: (1R)-1-(4-methoxyphenyl)ethanol
English name: (R)-1-(4-Methoxyphenyl)ethanol
Molecular formula: C9H12O2
Molecular weight: 152.19

Names & synonyms

(1R)-1-(4-methoxyphenyl)ethan-1-olRefChem:392950823-747-1(R)-1-(4-Methoxyphenyl)ethanol1517-70-0(1R)-1-(4-methoxyphenyl)ethanolMFCD09863667(R)-alpha-Methyl-4-methoxybenzyl alcohol(R)-1-(p-Methoxyphenyl)ethanol1-(4-Methoxyphenyl)ethanol, (R)-1B9B7SAO1U1-(4-Methoxyphenyl)ethanol, (+)-

Show more names

(+)-(R)-1-(4-Methoxyphenyl)ethanol(R)-(-)-4-methoxy-1-(1-hydroxyethyl)benzeneBenzenemethanol, 4-methoxy-α-methyl-, (αR)-(alphaR)-4-Methoxy-alpha-methylbenzenemethanol

(R)-1-(4-methoxyphenyl)ethan-1-ol(1R)-1-(4-Methoxy-phenyl)ethan-1-olUNII-1B9B7SAO1USCHEMBL343939Benzenemethanol, 4-methoxy-alpha-methyl-, (alphaR)-1-(4-methoxy-phenyl)-ethanolDTXSID70348901IUUULXXWNYKJSL-SSDOTTSWSA-N

Database identifiers

CAS: 1517-70-0
PubChem CID: 641443
DTXSID: DTXSID70348901
UNII: 1B9B7SAO1U
EC Number: 823-747-1
Nikkaji: J56.774D

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 106

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Boiling point: 254 ℃ · 254℃
Density: 1.053 · 1.053
Flash point: 108 ℃ · 108℃
storage temp.: 2 · 2-8°C
pka: 14.49 · 14.49±0.20(Predicted)
Appearance: Colorless to light yellow Liquid
InChI: InChI=1/C9H12O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3/t7-/s3
InChIKey: IUUULXXWNYKJSL-KPOCXSGKNA-N
SMILES: [C@@H](C1C=CC(OC)=CC=1)(O)C |&1:0,r|
FDA UNII: 1 B9B7SAO1U · 1B9B7SAO1U
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H227-H335-H319-H315

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 4 (100%)

Safety data

hs_code: 2909498090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H227-H335-H319-H315
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P