1-Phenylcyclopropanemethanol

HCID 520536

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Basic information

CAS: 31729-66-5
Standard SMILES: OCC1(c2ccccc2)CC1
InChIKey: APALRPYIDIBHQN-UHFFFAOYSA-N
Molecular formula: C10H12O
Average molar mass: 148.2 g/mol
Monoisotopic mass: 148.088815

Names & identifiers

Preferred name: 1-Phenylcyclopropanemethanol
IUPAC: (1-phenylcyclopropyl)methanol
English name: 1-phenylcyclopropanemethanol
Molecular formula: C10H12O
Molecular weight: 148.2

Names & synonyms

31729-66-51-PhenylcyclopropanemethanolDTXSID901308555RefChem:435699DTXCID901738459250-781-9(1-Phenylcyclopropyl)methanolCyclopropanemethanol, 1-phenyl-MFCD000013101-Phenyl cyclopropane-1-methanolcyclopropyl-phenylmethanoltrans-phenylcyclopropylmethanol

Show more names

1-Phenyl-1-(hydroxymethyl)cyclopropane(1-Phenylcyclopropyl)methanol - [P88494]

SCHEMBL1371770SCHEMBL2437410SCHEMBL6408444SCHEMBL22125364APALRPYIDIBHQN-UHFFFAOYSA-.alpha.-Cyclopropylbenzyl alcohol1-phenyl-1-cyclopropane methanolGBA72966

Database identifiers

CAS: 31729-66-5
PubChem CID: 520536
DTXSID: DTXSID901308555
EC Number: 250-781-9
Nikkaji: J236.384D

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 132

Physicochemical properties

Boiling point: 117 · 117-122 °C(Press: 112 Torr)
Density: 1.102 · 1.102±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 15.1 · 15.10±0.10(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H335-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
HS Code: 2906190090 · 2906190090
Toxicity: 50 · mouse,LD50,intraperitoneal,> 500mg/kg (500mg/kg),European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 149, 1977.

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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, 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 CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2906190090
Toxicity: mouse,LD50,intraperitoneal,> 500mg/kg (500mg/kg),European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 149, 1977.
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H335-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501