n-Butyl fumarate

Modify Date: 2025-08-24 21:04:00

n-Butyl fumarate Structure
n-Butyl fumarate structure
 Common Name n-Butyl fumarate
CAS Number 16062-88-7 Molecular Weight 172.17800
Density 1.13g/cm3 Boiling Point 289.1ºC at 760mmHg
Molecular Formula C8H12O4 Melting Point N/A
MSDS N/A Flash Point 113.9ºC

 Names

Name (E)-4-butoxy-4-oxobut-2-enoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.13g/cm3
Boiling Point 289.1ºC at 760mmHg
Molecular Formula C8H12O4
Molecular Weight 172.17800
Flash Point 113.9ºC
Exact Mass 172.07400
PSA 63.60000
LogP 0.97050
Vapour Pressure 0.000565mmHg at 25°C
Index of Refraction 1.47
InChIKey UTOVMEACOLCUCK-SNAWJCMRSA-N
SMILES CCCCOC(=O)C=CC(=O)O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LT2150000
CHEMICAL NAME :
Fumaric acid, monobutyl ester
CAS REGISTRY NUMBER :
16062-88-7
LAST UPDATED :
199206
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H12-O4
MOLECULAR WEIGHT :
172.20
WISWESSER LINE NOTATION :
QV1U1VO4 -T

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 76,189,1942

 Safety Information

HS Code 2918990090

 Precursor & DownStream

Precursor  3

DownStream  0

 Customs

HS Code 2918990090
Summary 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

n-Butyl fumarate
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