Cyclopentanecarboxylic acid, 3-hydroxy-, methyl ester

HCID 520596CAS 32811-76-0

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)C1CCC(O)C1
InChIKey: ASZRODBLMORHAR-UHFFFAOYSA-N
Molecular formula: C7H12O3
Average molar mass: 144.17 g/mol
Monoisotopic mass: 144.07864424

Overview

See other relationships...

Names & identifiers

Preferred name: Cyclopentanecarboxylic acid, 3-hydroxy-, methyl ester
IUPAC: methyl 3-hydroxycyclopentane-1-carboxylate
English name: Methyl 3-Hydroxycyclopentanecarboxylate
Molecular formula: C7H12O3
Molecular weight: 144.17

Names & synonyms

32811-76-0methyl 3-hydroxycyclopentane-1-carboxylateCyclopentanecarboxylic acid, 3-hydroxy-, methyl esterDTXSID601215959RefChem:580986DTXCID301647298856-589-7Methyl 3-hydroxycyclopentanecarboxylate3-Hydroxy-cyclopentanecarboxylic acid methyl esterMFCD20040367methyl (1S)-3-hydroxycyclopentane-1-carboxylatemethyl cis-3-hydroxycyclopentane-1-carboxylate

Show more names

(3-Bromophenyl)(phenyl)methanaminehcl3-hydroxyCyclopentane carboxylic acid Methyl ester

79598-73-5SCHEMBL417483ASZRODBLMORHAR-UHFFFAOYSA-NHBA81176Methyl3-hydroxycyclopentanecarboxylateAKOS023611673SB11634SB12598

Database identifiers

CAS: 32811-76-0
PubChem CID: 520596
DTXSID: DTXSID601215959
EC Number: 856-589-7

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 133

Physicochemical properties

Boiling point: 106 °C · 106 °C(Press: 15 Torr)
Density: 1.169 · 1.169±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 14.84 · 14.84±0.40(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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 CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P