CAS 1572-97-0 (S)-1-(4-Methoxyphenyl)ethanol (HCID 6950190)

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Basic information

CAS: 1572-97-0
Standard SMILES: COc1ccc([C@H](C)O)cc1
InChIKey: IUUULXXWNYKJSL-ZETCQYMHSA-N
Molecular formula: C9H12O2
Average molar mass: 152.19 g/mol
Monoisotopic mass: 152.08372962

Names & identifiers

Preferred name: (S)-1-(4-Methoxyphenyl)ethanol
IUPAC: (1S)-1-(4-methoxyphenyl)ethanol
English name: 2-Hydroxy-6-methylnicotinic acid
Molecular formula: C9H12O2
Molecular weight: 152.19

Names & synonyms

(S)-1-(4-Methoxyphenyl)ethanol(1S)-1-(4-methoxyphenyl)ethan-1-olDTXSID901306797RefChem:407780DTXCID001736751841-274-91572-97-0(1S)-1-(4-methoxyphenyl)ethanolMFCD09863666(S)-alpha-Methyl-4-methoxybenzyl Alcohol(S)-1-(p-Methoxyphenyl)ethanol1-(4-Methoxyphenyl)ethanol, (S)-

Show more names

(S)-(-)-1-(p-Methoxyphenyl)ethanolBenzenemethanol, 4-methoxy-α-methyl-, (αS)-(S)-(-)-4-methoxy-1-(1-hydroxyethyl)benzene

(S)-1-(4-Methoxyphenyl)-1-ethanolBenzenemethanol, 4-methoxy-alpha-methyl-, (alphaS)-A53J13G0K51-(4-Methoxyphenyl)ethanol, (-)-(S)-1-(4-methoxyphenyl)ethan-1-ol(alphaS)-4-Methoxy-alpha-methylbenzenemethanol(S)-4-Methoxy-alpha-methylbenzyl alcoholUNII-A53J13G0K5

Database identifiers

CAS: 1572-97-0
PubChem CID: 6950190
DTXSID: DTXSID901306797
UNII: A53J13G0K5
EC Number: 841-274-9
Nikkaji: J56.773F

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

Physicochemical properties

Boiling point: 254 ℃ · 254℃
Density: 1.053 · 1.053
Flash point: 108 ℃ · 108℃
storage temp.: Sealed in dry,Room Temperature
pka: 14.49 · 14.49±0.20(Predicted)
Appearance: Colorless to light yellow Liquid
optical activity: Consistent with structure
FDA UNII: 53 J13G0K5 · A53J13G0K5
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319-H227-H302
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P210-P280-P370+P378-P403+P235-P501-P264-P270-P301+P312-P330-P501

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

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