CAS 1120-72-5 2-Methylcyclopentanone (HCID 14265)

Overview

2-methylcyclopentanone is a member of cyclopentanones.

Names & identifiers

Preferred name: 2-Methylcyclopentanone
IUPAC: 2-methylcyclopentan-1-one
English name: 2-Methylcyclopentanone
Molecular formula: C6H10O
Molecular weight: 98.14

Names & synonyms

2-METHYLCYCLOPENTANONE1120-72-5Cyclopentanone, 2-methyl-alpha-MethylcyclopentanoneHTH47R9TXSmethyl cyclopentanoneNSC-105429EINECS 214-318-4NSC 105429AI3-39196DTXSID50862554RefChem:476030

Show more names

a-Methylcyclopentanone2-methyl-cyclopentanon2-Methylcyclopentanone,99%TIANFUCHEM--1120-72-5--2-Methylcyclopentanone in stock

DTXCID40811298CYCLOPENTANONE, 2-METHYL-, (+-)-214-318-42-Methylcyclopentan-1-oneCyclopentanone, methyl-.alpha.-MethylcyclopentanoneMFCD0000141428631-88-1

Database identifiers

CAS: 1120-72-5、28631-88-1
PubChem CID: 14265
DTXSID: DTXSID50862554
ChEBI: CHEBI:195393
UNII: HTH47R9TXS
EC Number: 214-318-4
Nikkaji: J100.694K

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 86.2

Physicochemical properties

Melting point: -75 °C · -75°C
Boiling point: 139 °C · 139 °C (lit.)
Density: 0.917 g/mL · 0.917 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.435(lit.)
Flash point: 79 °F · 79 °F
storage temp.: 2 · Inert atmosphere,2-8°C
form: Liquid
color: Clear colorless to very slightly yellow
Water Solubility: soluble
InChI: InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h5H,2-4H2,1H3
InChIKey: ZIXLDMFVRPABBX-UHFFFAOYSA-N
SMILES: C1(=O)CCCC1C
LogP: 0.69 · 0.690 (est)
CAS DataBase Reference: 1120 · 1120-72-5(CAS DataBase Reference)
FDA UNII: 47 R9TXS · HTH47R9TXS
NIST Chemistry Reference: 2 · Cyclopentanone, 2-methyl-(1120-72-5)
EPA Substance Registry System: 2 · 2-Methylcyclopentanone (1120-72-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
Precautionary statements: 210 · P210-P233-P240-P241-P242-P243
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: F
Risk Statements: 10 · 10
Safety Statements: 16 · 16-29-33
RIDADR: 1224 · UN 1224 3/PG 3
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 3.2 · 3.2
PackingGroup: III
HS Code: 29142990 · 29142990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 · Flam. Liq. 3
REACH Registrations: Active

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 44 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationStatus: Active Update: 22-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26379

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 1224 3/PG 3
hs_code: 29142990
risk_code: 10
Signal word: Warning
Symbol(GHS): GHS02
hazard_code: F
safety_code: 16-29-33
hazard_class: 3.2
Storage Class: 3 - Flammable liquids
packing_group: III
Hazard statements: H226
REACH Registrations: Active
Hazard Classifications: Flam. Liq. 3
Precautionary statements: P210-P233-P240-P241-P242-P243

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCyclopentanone, 2-methyl-: ACTIVE

Applications

Uses2-Methylcyclopentanone is a useful synthetic intermediate. It was used in the synthesis of MK-0354, a partial agonist of nicotinic acid and G-protein-coupled receptor 109a. It can also be used to prepare Falcipain inhibitors.

Upstream & downstream products

Upstream raw materials

Downstream products

trans-2-Methylcyclopentanol 4-acetylbutyric acid Tetrahydrofuran

Suppliers100 total

常州帝通化工有限公司+86-0519-88298848 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

南京凯美西化工有限公司02558748998 18951874644 · [email protected]

河南赢创生物科技有限公司16650615803 · [email protected]

Related reactions

34 records

New reaction record

HRID 65616As reactantuspto-grants-1978_12

HRID 105487As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 199595As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 211245As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 222724As reactantuspto-grants-2012_06

HRID 602846As reactantuspto-grants-2011_03

HRID 602847As reactantuspto-grants-2011_03

HRID 631759As productuspto-grants-2016_04

Compound notes

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Basic information