4-Hydroxy-1-phenylpentane

HCID 102788
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Basic information

CAS
2344-71-0
Standard SMILES
CC(O)CCCc1ccccc1
InChIKey
ZFVFQRLBTBBQSK-UHFFFAOYSA-N
Molecular formula
C11H16O
Average molar mass
164.24 g/mol
Monoisotopic mass
164.12011513

Overview

structure in first source

Names & identifiers

Preferred name
4-Hydroxy-1-phenylpentane
IUPAC
5-phenylpentan-2-ol
English name
5-phenylpentan-2-ol
Molecular formula
C11H16O
Molecular weight
164.24414

Names & synonyms

4-Hydroxy-1-phenylpentaneHP pentaneRefChem:9125375-Phenylpentan-2-ol2344-71-05-phenyl-2-pentanolBenzenebutanol, alpha-methyl-EINECS 219-056-4Benzenebutanol, |A-methyl-CCRIS 19965-Phenylpentanol-25-phenyl-pentan-2-ol
Show more names
α-Methylbenzene-1-butanol
SCHEMBL560468SCHEMBL1337921SCHEMBL1678945SCHEMBL8714626DTXSID60946096AKOS011898844NS00083311H37063

Database identifiers

CAS
2344-71-0
PubChem CID
102788
DTXSID
DTXSID60946096
EC Number
219-056-4
Nikkaji
J213.199D

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
12

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Boiling point
251.73 °C · 251.73°C (rough estimate)
Density
0.9643 · 0.9643
refractive index
1.518 · 1.5180 (estimate)
pka
15.2 · 15.20±0.20(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers3 total

江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]

Related reactions

18 records
New reaction record

Compound notes

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