3-Methylpentan-2-One

HCID 11262
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Basic information

CAS
565-61-7
Standard SMILES
CCC(C)C(C)=O
InChIKey
UIHCLUNTQKBZGK-UHFFFAOYSA-N
Molecular formula
C6H12O
Average molar mass
100.16 g/mol
Monoisotopic mass
100.088815

Overview

3-Methylpentan-2-one is a ketone.

Names & identifiers

Preferred name
3-Methylpentan-2-One
IUPAC
3-methylpentan-2-one
English name
3-Methylpentan-2-one
Molecular formula
C6H12O
Molecular weight
100.16

Names & synonyms

3-Methyl-2-pentanone565-61-73-METHYLPENTAN-2-ONEMethyl sec-butyl ketone2-Pentanone, 3-methyl-sec-Butyl methyl ketoneMethyl 1-methylpropyl ketoneDTXSID4021634EINECS 209-282-1NSC 66492DTXCID801634UIHCLUNTQKBZGK-UHFFFAOYSA-
Show more names
EC 209-282-13Methylpentan2one2Pentanone, 3methylMethyl secbutyl ketonesecButyl methyl ketoneRefChem:504302Methyl 1methylpropyl ketone209-282-1

Database identifiers

CAS
565-61-7
PubChem CID
11262
DTXSID
DTXSID4021634
ChEMBL
CHEMBL3182903
ChEBI
CHEBI:195650
UNII
S6QAE3S2Z8
EC Number
209-282-1
Nikkaji
J26.132G

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
7

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
SolventsSolvents -> Ketones (<C12)
SpringerMaterials PropertiesBoiling point
Flavoring AgentsEU Flavoring substances
Vapor Pressure11.6 [mmHg]
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Boiling point
118 °C · 118 °C
Density
0.8145 g/cm3 · 0.8145 g/cm3(Temp: 15 °C)
Symbol(GHS)
2 · GHS02
Signal word
Danger
Hazard statements
225 · H225
Precautionary statements
210 · P210

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 125 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 5 items

Chemical: 2-Pentanone, 3-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 16-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/11242

2-Pentanone, 3-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; [Alfa Aesar MSDS] See Methyl isobutyl ketone.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome

Safety data

Signal word
Danger
Symbol(GHS)
GHS02
Hazard statements
H225
Precautionary statements
P210

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Pentanone, 3-methyl-: ACTIVE

Suppliers62 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587

Related reactions

7 records
New reaction record

Compound notes

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