(1-Phenylcyclopentyl)methanol

HCID 123544

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Basic information

CAS: 59115-90-1
Standard SMILES: OCC1(c2ccccc2)CCCC1
InChIKey: WJMWSPUOZRYMJD-UHFFFAOYSA-N
Molecular formula: C12H16O
Average molar mass: 176.25 g/mol
Monoisotopic mass: 176.12011513

Names & identifiers

Preferred name: (1-Phenylcyclopentyl)methanol
IUPAC: (1-phenylcyclopentyl)methanol
English name: (1-Phenylcyclopentyl)methanol
Molecular formula: C12H16O
Molecular weight: 176.25

Names & synonyms

(1-phenylcyclopentyl)methanol1-PhenylcyclopentanemethanolDTXSID00974555RefChem:392464DTXCID601401980978-798-359115-90-1Cyclopentanemethanol, 1-phenyl-MFCD00019299BRN 20887551-hydroxymethyl-1-phenylcyclopentane(1-Phenylcylopentyl)methanol

Show more names

4-06-00-03915 (Beilstein Handbook Reference)SCHEMBL1152119SCHEMBL6409381(1-Phenyl-cyclopentyl)-methanolWJMWSPUOZRYMJD-UHFFFAOYSA-NJCA11590AKOS006281247AB85907

Database identifiers

CAS: 59115-90-1
PubChem CID: 123544
DTXSID: DTXSID00974555
EC Number: 978-798-3
Nikkaji: J77.968G

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 153

Physicochemical properties

Boiling point: 142 · 142-144 °C(Press: 10 Torr)
Density: 1.037 · 1.037±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
pka: 15.05 · 15.05±0.10(Predicted)
InChI: InChI=1S/C12H16O/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-10H2
InChIKey: WJMWSPUOZRYMJD-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)(CO)CCCC1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
HS Code: 2902190000 · 2902190000

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: 2902190000
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501