4-(cyclopentylmethyl)benzoic acid

Modify Date: 2025-08-26 08:08:32

4-(cyclopentylmethyl)benzoic acid Structure
4-(cyclopentylmethyl)benzoic acid structure
Common Name 4-(cyclopentylmethyl)benzoic acid
CAS Number 37874-97-8 Molecular Weight 204.26500
Density 1.137g/cm3 Boiling Point 348.2ºC at 760 mmHg
Molecular Formula C13H16O2 Melting Point N/A
MSDS N/A Flash Point 162.8ºC

 Names

Name 4-(cyclopentylmethyl)benzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.137g/cm3
Boiling Point 348.2ºC at 760 mmHg
Molecular Formula C13H16O2
Molecular Weight 204.26500
Flash Point 162.8ºC
Exact Mass 204.11500
PSA 37.30000
LogP 3.11750
Index of Refraction 1.572
InChIKey PKWZNPSKWPVPGF-UHFFFAOYSA-N
SMILES O=C(O)c1ccc(CC2CCCC2)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG5791000
CHEMICAL NAME :
Benzoic acid, 4-(cyclopentylmethyl)-
CAS REGISTRY NUMBER :
37874-97-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H16-O2
MOLECULAR WEIGHT :
204.29
WISWESSER LINE NOTATION :
L5TJ A1R DVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#10092

 Safety Information

HS Code 2916399090

 Customs

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

4-Cyclopentylmethyl-benzoesaeure
4-Cyclopentylmethylbenzoic acid
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