CAS 140-77-2 Cyclopentanepropanoic acid (HCID 8818)

Overview

3-cyclopentylpropionic acid is a monocarboxylic acid that is propionic acid in which one of the methyl hydrogens is substituted by a cyclopentyl group.

Names & identifiers

Preferred name: Cyclopentanepropanoic acid
IUPAC: 3-cyclopentylpropanoic acid
English name: 3-Cyclopentylpropionic acid
Molecular formula: C8H14O2
Molecular weight: 142.2

Names & synonyms

3-Cyclopentylpropionic acid140-77-23-Cyclopentylpropanoic acidCyclopentanepropanoic acidCyclopentanepropionic acidcypionic acidCyclopentylpropionic acidPropionic acid, 3-cyclopentyl-931H8F0JEENSC 8771NSC-8771EINECS 205-433-0

Show more names

AKOS BBS-000038023-Cyclopentylpropioncyclopentanepropanoicacid3-cyclopentylpropionicaci3-Cylcopentylpropanoic acid

3-Cyclopentyl-propionic acidAI3-14247DTXSID4059700CHEBI:50899CYCLOPENTYLPROPANOIC ACID [USP-RS]CYCLOPENTYLPROPANOIC ACID (USP-RS)RefChem:580998DTXCID2034546

Database identifiers

CAS: 140-77-2
PubChem CID: 8818
DTXSID: DTXSID4059700
ChEMBL: CHEMBL1230184
ChEBI: CHEBI:50899
UNII: 931H8F0JEE
EC Number: 205-433-0
Nikkaji: J79.460K

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 114

Physicochemical properties

Melting point: -
Boiling point: 130 · 130-132 °C/12 mmHg (lit.)
Density: 0.996 g/mL · 0.996 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.457(lit.)
Flash point: 116 °F · 116 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Liquid
pka: 4.81 · 4.81±0.10(Predicted)
color: Clear colorless to yellow
Water Solubility: insoluble
InChI: InChI=1S/C8H14O2/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2,(H,9,10)
InChIKey: ZRPLANDPDWYOMZ-UHFFFAOYSA-N
SMILES: C1(CCC(O)=O)CCCC1
CAS DataBase Reference: 140 · 140-77-2(CAS DataBase Reference)
FDA UNII: 931 H8F0JEE · 931H8F0JEE
NIST Chemistry Reference: Cyclopentanepropanoic acid(140-77-2)
EPA Substance Registry System: Cyclopentanepropanoic acid (140-77-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 210 · P210-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 10 · 10-36/37/38
Safety Statements: 16 · 16-26-36-24/25
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
Hazard Note: Irritant
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29162090 · 29162090
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
REACH Registrations: Active
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 16-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/33677

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 1993 3/PG 3
hs_code: 29162090
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 16-26-36-24/25
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H226-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCyclopentanepropanoic acid: ACTIVE

Applications

Uses3-Cyclopentylpropionic acid can be used as an organic building blocks in the synthesis of variety of pharmaceutical compound. It is used for the synthesis of Testosterone Cypionate (T155100).