CAS 3400-45-1 Cyclopentanecarboxylic acid (HCID 18840)

Overview

Cyclopentanecarboxylic acid is a carboxylic acid.

Names & identifiers

Preferred name: Cyclopentanecarboxylic acid
IUPAC: cyclopentanecarboxylic acid
English name: Cyclopentanecarboxylic acid
Molecular formula: C6H10O2
Molecular weight: 114.14

Names & synonyms

Cyclopentanecarboxylic acidCYCLOPENTANE CARBOXYLIC ACIDCyclopentylcarboxylic acidUNII-Z6691VH94AEINECS 222-269-5Z6691VH94ACYCLOPENTANE,CARBOXYLIC ACIDCyclopentylmethanoic acidNSC-59714DTXSID70187610NSC 59714RefChem:129851

Show more names

CyclopentanecarboxylCarboxycyclopentaneRARECHEM AL BO 0294Cyclopentyl formic acidCyclopentancarboxylicacidCYCLOPENTACARBOXYLIC ACID

DTXCID30110101CYCLOPENTANE CARBOXYLIC ACID [INCI]222-269-5663-788-0InChI=1/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8JBDSSBMEKXHSJF-UHFFFAOYSA-NNLLGKNYQDQBMFW-UHFFFAOYSA-N3400-45-1

Database identifiers

CAS: 3400-45-1
PubChem CID: 18840
DTXSID: DTXSID70187610
ChEMBL: CHEMBL1902018
ChEBI: CHEBI:230335
UNII: Z6691VH94A
EC Number: 222-269-5
Nikkaji: J7.729A

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 92.7

Experimental & physicochemical properties

CosmeticsSurfactant

SpringerMaterials PropertiesDiamagnetic susceptibility

LogP1.52

Physicochemical properties

Melting point: 3 · 3-5 °C(lit.)
Boiling point: 216 °C · 216 °C(lit.)
Density: 1.053 g/mL · 1.053 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.453(lit.)
Flash point: 201 °F · 201 °F
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform, Ethyl Acetate
form: Liquid
pka: 4.99 · 4.99(at 25℃)
color: Clear colorless to yellow
Water Solubility: SOLUBLE
BRN: 2039729 · 2039729
Cosmetics Ingredients Functions: SURFACTANT - CLEANSING
InChI: 1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8)
InChIKey: JBDSSBMEKXHSJF-UHFFFAOYSA-N
SMILES: OC(=O)C1CCCC1
LogP: 1.21 · 1.210 (est)
CAS DataBase Reference: 3400 · 3400-45-1(CAS DataBase Reference)
FDA UNII: 6691 VH94A · Z6691VH94A
NIST Chemistry Reference: cyclopentane carboxylic acid(3400-45-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39-36
RIDADR: 3265 · 3265
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: CBL
HS Code: 29162000 · 29162000
Storage Class: 10 · 10 - Combustible liquids
Excepted Quantities: Non-Hazardous

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)

Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationCyclopentanecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: 3265
hs_code: 29162000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39-36
hazard_class: CBL
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319-H335
Excepted Quantities: Non-Hazardous
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Uses & manufacturing

Use ClassificationCosmetics -> Surfactant

Applications

UsesCyclopentanecarboxylic Acid is an aliphatic cycloalkyl carboxylic acid used in the preparation of amino acids and other biologically active compounds. Cyclopentanecarboxylic Acid was shown to have plant growth regulating activity.