CAS 32811-75-9 3-Oxo-cyclopentanecarboxylic acid methyl ester (HCID 237640)

Names & identifiers

Preferred name: 3-Oxo-cyclopentanecarboxylic acid methyl ester
IUPAC: methyl 3-oxocyclopentane-1-carboxylate
English name: methyl 3-oxocyclopentane-1-carboxylate
Molecular formula: C7H10O3
Molecular weight: 142.15

Names & synonyms

3-Oxo-cyclopentanecarboxylic acid methyl esterRefChem:504692640-583-4Methyl 3-oxocyclopentanecarboxylate32811-75-9methyl 3-oxocyclopentane-1-carboxylate3-oxocyclopentanecarboxylic acid methyl esterMFCD09832106Cyclopentanecarboxylic acid, 3-oxo-, methyl esterSCHEMBL1139285Methyl 3-Oxocyclopentane carboxylateAKOS006280547

Show more names

Methyl 3-oxo-cyclopentane...Methyl-3-oxo-cyclopentane carboxylate1-Methyl-3-oxocyclopentane-1-carboxylate3-oxo-1-cyclopentanecarboxylic acid methyl ester3-OXO-CYCLOPENTANECARBOXYLIC ACID METHYL ESTER, 95+%Methyl-3-oxo-cyclopentane carboxylate, 95% (Custom work)Cyclopentanecarboxylic acid, 3-oxo-, methyl ester (6CI, 7CI, 8CI, 9CI, ACI)

CS-W019720PB27535PB31918PS-5100PD0473793-oxo-cyclopentane-1-carboxylic acid methyl esterAMY26568NSC41335

Database identifiers

CAS: 32811-75-9
PubChem CID: 237640
DTXSID: DTXSID60285311
EC Number: 640-583-4
Nikkaji: J583.068K

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 162

Physicochemical properties

Boiling point: 130 · 130-140℃ (10 Torr)
Density: 1.157 · 1.157±0.06 g/cm3(Predicted)
refractive index: 1.4565 · 1.4565 (589.3 nm 23℃)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: liquid
color: light yellow
InChI: InChI=1S/C7H10O3/c1-10-7(9)5-2-3-6(8)4-5/h5H,2-4H2,1H3
InChIKey: KTGCFXSELRVRFH-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)CCC(=O)C1
UNSPSC Code: 12352108 · 12352108
NACRES: 21 · NA.21
Symbol(GHS): 5 · GHS05,GHS07,GHS09
Signal word: Danger
Hazard statements: 302 · H302-H318-H411
Precautionary statements: 273 · P273-P280-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22-41-52
Safety Statements: 26 · 26-39
RIDADR: 3082 · UN 3082 9 / PGIII
WGK Germany: 3 · 3
HazardClass: 9 · 9
PackingGroup: Ⅲ
HS Code: 2918300090 · 2918300090
Storage Class: 10 · 10 - Combustible liquids
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk: 3
ridadr: UN 3082 9 / PGIII
hs_code: 2918300090
risk_code: 22-41-52
Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS09
hazard_code: Xn
safety_code: 26-39
hazard_class: 9
Storage Class: 10 - Combustible liquids
packing_group: Ⅲ
Hazard statements: H302-H318-H411
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P273-P280-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses3-Oxocyclopentanecarboxylic acid methyl ester can be used as a pharmaceutical synthesis intermediate. It can be prepared from 3-oxocyclopentanecarboxylic acid as a raw material and can be used to synthesize 3-hydroxycyclopentanecarboxylic acid ester. Furthermore, it can be used to synthesize a series of heterocyclic compounds with glutaminase inhibitory activity.