4,6-Dinitro-o-cresol butyrate

Modify Date: 2025-08-26 12:03:50

4,6-Dinitro-o-cresol butyrate Structure
4,6-Dinitro-o-cresol butyrate structure
 Common Name 4,6-Dinitro-o-cresol butyrate
CAS Number 63867-15-2 Molecular Weight 268.22300
Density 1.34g/cm3 Boiling Point 403.4ºC at 760 mmHg
Molecular Formula C11H12N2O6 Melting Point N/A
MSDS N/A Flash Point 178.5ºC

 Names

Name (2-methyl-4,6-dinitrophenyl) butanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.34g/cm3
Boiling Point 403.4ºC at 760 mmHg
Molecular Formula C11H12N2O6
Molecular Weight 268.22300
Flash Point 178.5ºC
Exact Mass 268.07000
PSA 117.94000
LogP 3.56330
Index of Refraction 1.56
InChIKey GQHIYWICVGCZRB-UHFFFAOYSA-N
SMILES CCCC(=O)Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ET0300000
CHEMICAL NAME :
Butyric acid, ester with 4,6-dinitro-o-cresol
CAS REGISTRY NUMBER :
63867-15-2
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H12-N2-O6
MOLECULAR WEIGHT :
268.25
WISWESSER LINE NOTATION :
WNR C1 ENW BOV3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 9,340,1957

 Synthetic Route

o-cresol structure

o-cresol

CAS#:95-48-7

Butyryl chloride structure

Butyryl chloride

CAS#:141-75-3

~%

4,6-Dinitro-o-cresol butyrate Structure

4,6-Dinitro-o-c...

CAS#:63867-15-2

Literature: Clarke,M.; Woodcock,D. Journal of the Chemical Society, 1962 , p. 519 - 521

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

Butanoic acid,6-dinitrophenyl ester
BUTYRIC ACID,ester with 4,6-DINITRO-o-CRESOL
4,6-Dinitro-o-cresol butyrate
2-methyl-4,6-dinitrophenyl butanoate
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