Cyclopentylacetic acid

HCID 71606
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
1123-00-8
Standard SMILES
O=C(O)CC1CCCC1
InChIKey
YVHAIVPPUIZFBA-UHFFFAOYSA-N
Molecular formula
C7H12O2
Average molar mass
128.17 g/mol
Monoisotopic mass
128.08372962

Overview

Cyclopentylacetic acid is a carboxylic acid.

Names & identifiers

Preferred name
Cyclopentylacetic acid
IUPAC
2-cyclopentylacetic acid
English name
Cyclopentylacetic acid
Molecular formula
C7H12O2
Molecular weight
128.17

Names & synonyms

Cyclopentylacetic acid1123-00-8Cyclopentaneacetic acidEINECS 214-368-7DTXSID30149976NSC 60134RefChem:581094DTXCID2072467214-368-72-cyclopentylacetic AcidMFCD00001387cyclopentanacetic acid
Show more names
2-cyclopentylacetateCyclopentyacetic acidcycylopentylacetic acid2-Cyclopentaneacetic acidCyclopentylacetic acid 97%Cyclopentylacetic Acid >(Carboxymethyl)cyclopentaneCyclopentylacetic acid, 98%+
cyclopentyl-acetic acidCyclopentylacetic acid, 97%NSC-60134PS-5790SY001096EN300-20142Z104477042cyclopentyl acetic acid

Database identifiers

CAS
1123-00-8
PubChem CID
71606
DTXSID
DTXSID30149976
ChEBI
CHEBI:167737
UNII
PS4SYX272J
EC Number
214-368-7
Nikkaji
J80.166F

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
9

Physicochemical properties

Melting point
12 · 12-14°C
Boiling point
133 · 133-134 °C/23 mmHg (lit.)
Density
1.022 g/mL · 1.022 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.453(lit.)
Flash point
229 °F · 229 °F
storage temp.
Sealed in dry,Room Temperature

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 73 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 3334
hs_code
29162090
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Applications

UsesCyclopentylacetic acid is a reagent the synthesis of Cyclopentamine, which is a vasoconstrictor that acts as a releasing agent of the neurotransmitters norepinephrine, epinephrine and dopamine.

UsesCyclopentylacetic acid has been used in a study to examine the butylation efficiency of free carboxylic acids.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Additional notes

DefinitionChEBI: Cyclopentylacetic acid is a carboxylic acid.

Related reactions

208 records
New reaction record

Compound notes

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