1-Phenylpentan-3-one

HCID 88701
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Basic information

CAS
20795-51-1
Standard SMILES
CCC(=O)CCc1ccccc1
InChIKey
GLVAUXMKXKUEEA-UHFFFAOYSA-N
Molecular formula
C11H14O
Average molar mass
162.23 g/mol
Monoisotopic mass
162.10446507

Names & identifiers

Preferred name
1-Phenylpentan-3-one
IUPAC
1-phenylpentan-3-one
English name
1-Phenylpentan-3-one
Molecular formula
C11H14O
Molecular weight
162.23

Names & synonyms

1-Phenylpentan-3-one1-Phenyl-3-pentanone3-Pentanone, 1-phenyl-VEP8CR4F7ZDTXSID10174882RefChem:77004DTXCID5097373GLVAUXMKXKUEEA-UHFFFAOYSA-N20795-51-11-Phenyl-pentan-3-oneAI3-21915MFCD00027025
Show more names
1-phenylpentyl-3-one
Phenyl-3-pentanoneEINECS 244-045-65phenylpentan-3-oneUNII-VEP8CR4F7ZSCHEMBL1874SCHEMBL157204SCHEMBL3408806AKOS009389875

Database identifiers

CAS
20795-51-1
PubChem CID
88701
DTXSID
DTXSID10174882
UNII
VEP8CR4F7Z
EC Number
244-045-6
Nikkaji
J191.476F

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
12

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Boiling point
124 °C · 124 °C(Press: 14 Torr)
Density
0.96 · 0.960±0.06 g/cm3(Predicted)
storage temp.
Refrigerator
solubility
Chloroform (Sparingly), Methanol (Slightly)
form
Oil
color
Colourless

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P264-P270-P301+P312-P330-P501

Chemistry & industry

Upstream & downstream products

Suppliers15 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]

Related reactions

5 records
New reaction record

Compound notes

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