4-Hydroxypentan-2-one

HCID 20112
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Basic information

CAS
4161-60-8
Standard SMILES
CC(=O)CC(C)O
InChIKey
PCYZZYAEGNVNMH-UHFFFAOYSA-N
Molecular formula
C5H10O2
Average molar mass
102.13 g/mol
Monoisotopic mass
102.06807956

Overview

4-Hydroxypentan-2-one has been reported in Mangifera indica with data available.

Names & identifiers

Preferred name
4-Hydroxypentan-2-one
IUPAC
4-hydroxypentan-2-one
English name
4-hydroxypentan-2-one
Molecular formula
C5H10O2
Molecular weight
102.13

Names & synonyms

4-Hydroxypentan-2-one4-HYDROXY-2-PENTANONEEINECS 224-003-3DTXSID70864393NSC 263780RefChem:524054DTXCID30812916224-003-34161-60-82-Pentanone, 4-hydroxy-CH3CH(OH)CH2C(O)CH3(4R)-4-HYDROXYPENTAN-2-ONE
Show more names
4-Hydroxypentane-2-one
63315-69-5MFCD19300653NSC2637804-Hydroxy-2-pentanone #SCHEMBL1537442-PENTANONE-4-HYDROXYSCHEMBL68668324-Hydroxy-4-methyl-2-butanone

Database identifiers

CAS
4161-60-8
PubChem CID
20112
DTXSID
DTXSID70864393
EC Number
224-003-3
Nikkaji
J24.213F

Properties

Computed structural properties

XLogP
-0.4
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
7

Physicochemical properties

Melting point
2.5 °C · 2.5°C (estimate)
Boiling point
177 °C · 177°C
Density
1.0071 · 1.0071
refractive index
1.4415 · 1.4415
pka
14.5 · 14.50±0.20(Predicted)
LogP
-0.385 · -0.385 (est)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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
H315-H319-H335-H227
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501

Chemistry & industry

Suppliers6 total

石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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CAS 4161-60-8 4-Hydroxypentan-2-one (HCID 20112)｜Huagongshe