2-Methyl-2-cyclopenten-1-one

HCID 14266
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Basic information

CAS
1120-73-6
Standard SMILES
CC1=CCCC1=O
InChIKey
ZSBWUNDRDHVNJL-UHFFFAOYSA-N
Molecular formula
C6H8O
Average molar mass
96.13 g/mol
Monoisotopic mass
96.05751488

Overview

2-Methyl-2-cyclopenten-1-one is a cyclic ketone.

Names & identifiers

Preferred name
2-Methyl-2-cyclopenten-1-one
IUPAC
2-methylcyclopent-2-en-1-one
English name
2-methylcyclopentenone
Molecular formula
C6H8O
Molecular weight
96.13

Names & synonyms

1120-73-62-METHYL-2-CYCLOPENTEN-1-ONE2-Methyl-2-cyclopentenone2-methylcyclopent-2-en-1-one2-Cyclopenten-1-one, 2-methyl-N5S7BLT3Q9DTXSID00870846RefChem:4751632Cyclopenten1one, 2methylDTXCID50818531627-283-9InChI=1/C6H8O/c1-5-3-2-4-6(5)7/h3H,2,4H2,1H
Show more names
2-Cyclopenten-1-one,2-methyl-methylcyclopentyleneone2-Methyl-2-cyclopentenon2-Cyclopenten-1-one,2-meth2-Methyl-cyclopent-2-enone
2-Methylcyclopent-2-enoneMFCD00012275Cyclopentenone, 2-methyl-Cyclopentenone, methyl-Methyl-Cyclopentenone89911-17-12-methyl-2-cyclopentene-1-one2-methylcyclopentenone

Database identifiers

CAS
1120-73-6、89911-17-1
PubChem CID
14266
DTXSID
DTXSID00870846
ChEMBL
CHEMBL4097891
ChEBI
CHEBI:179529
UNII
N5S7BLT3Q9
EC Number
627-283-9
Nikkaji
J129.196C

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
7

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Aliphatic Ketones, Other
SpringerMaterials PropertiesChemical shift
Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Boiling point
158 · 158-161 °C(lit.)
Density
0.979 g/mL · 0.979 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.479(lit.)
Flash point
120 °F · 120 °F
storage temp.
2 · 2-8°C
solubility
Chloroform (Sparingly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning 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 41 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Cyclopentene.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 1224 3/PG 3
hs_code
29142990
risk_code
10
Signal word
Warning

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Applications

Uses2-Methyl-2-cyclopentenone is used in preparation for molecular characterization of the pyrolysis of biomass.

General DescriptionDiels-Alder reactions of 2-methyl-2-cyclopenten-1-one with 1-ethenylhydronaphthalenes were studied.

Upstream & downstream products

Suppliers88 total

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
苏州驰瑞智合生物科技有限公司0512-13626191578 13626191578 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Additional notes

DefinitionChEBI: 2-Methyl-2-cyclopenten-1-one is a cyclic ketone.

Related reactions

2 records
New reaction record

Compound notes

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CAS 1120-73-6 2-Methyl-2-cyclopenten-1-one (HCID 14266)｜Huagongshe