Benzeneacetic acid, 2,5-dimethoxy-4-(pentylthio)-

Modify Date: 2025-09-24 11:05:42

Benzeneacetic acid, 2,5-dimethoxy-4-(pentylthio)- Structure
Benzeneacetic acid, 2,5-dimethoxy-4-(pentylthio)- structure
 Common Name Benzeneacetic acid, 2,5-dimethoxy-4-(pentylthio)-
CAS Number 129658-08-8 Molecular Weight 298.39800
Density 1.15g/cm3 Boiling Point 443.3ºC at 760 mmHg
Molecular Formula C15H22O4S Melting Point N/A
MSDS N/A Flash Point 221.9ºC

 Names

Name 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)acetic acid

 Chemical & Physical Properties

Density 1.15g/cm3
Boiling Point 443.3ºC at 760 mmHg
Molecular Formula C15H22O4S
Molecular Weight 298.39800
Flash Point 221.9ºC
Exact Mass 298.12400
PSA 81.06000
LogP 3.61320
Vapour Pressure 1.22E-08mmHg at 25°C
Index of Refraction 1.546
InChIKey CAYSQLKLNHZRHV-UHFFFAOYSA-N
SMILES CCCCCSc1cc(OC)c(CC(=O)O)cc1OC

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CY1586500
CHEMICAL NAME :
Benzeneacetic acid, 2,5-dimethoxy-4-(pentylthio)-
CAS REGISTRY NUMBER :
129658-08-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H22-O4-S
MOLECULAR WEIGHT :
298.43

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CCCCAK Collection of Czechoslovak Chemical Communications. (Academic Press Inc. Ltd., 24-28 Oval Rd., London NW1 7DX, UK) V.1- 1929- Volume(issue)/page/year: 55,782,1990
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Chemsrc provides CAS#:129658-08-8 MSDS, density, melting point, boiling point, structure, etc. Its name is Benzeneacetic acid, 2,5-dimethoxy-4-(pentylthio)->> amp version: Benzeneacetic acid, 2,5-dimethoxy-4-(pentylthio)-

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