Benzaldehyde, 3,5-di-tert-butyl-4-hydroxy-, oxime

Modify Date: 2024-01-05 12:23:36

Benzaldehyde, 3,5-di-tert-butyl-4-hydroxy-, oxime Structure
Benzaldehyde, 3,5-di-tert-butyl-4-hydroxy-, oxime structure
Common Name Benzaldehyde, 3,5-di-tert-butyl-4-hydroxy-, oxime
CAS Number 787-13-3 Molecular Weight 249.34900
Density 1.108g/cm3 Boiling Point 361.4ºC at 760 mmHg
Molecular Formula C15H23NO2 Melting Point N/A
MSDS N/A Flash Point 172.4ºC

 Names

Name 2,6-ditert-butyl-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.108g/cm3
Boiling Point 361.4ºC at 760 mmHg
Molecular Formula C15H23NO2
Molecular Weight 249.34900
Flash Point 172.4ºC
Exact Mass 249.17300
PSA 52.82000
LogP 3.79530
Index of Refraction 1.578

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CU5610100
CHEMICAL NAME :
Benzaldehyde, 3,5-di-tert-butyl-4-hydroxy-, oxime
CAS REGISTRY NUMBER :
787-13-3
LAST UPDATED :
198204
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H24-O
MOLECULAR WEIGHT :
220.39
WISWESSER LINE NOTATION :
1X1&1&R BQ E1UNQ CX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
650 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - changes in motor activity (specific assay)
REFERENCE :
JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 2,213,1960

 Synthetic Route

~97%

Benzaldehyde, 3,5-di-tert-butyl-4-hydroxy-, oxime Structure

Benzaldehyde, 3...

CAS#:787-13-3

Literature: Societe de Conseils de Recherches et d'Applications Scientifiques (S.C.R.A.S.) Patent: US6335445 B1, 2002 ; Location in patent: Page column 108 ;

 Synonyms

4-hydroxy-3,5-di-tert-butylbenzaldehyde oxime
Benzaldehyde,3,5-di-tert-butyl-4-hydroxy-,oxime
3,5-di-tert-butyl-4-hydroxybenzaldoxime
3,5-Di-t-butyl-4-hydroxybenzaldoxime
3,5-di-tert-butyl-4-hydroxy-benzaldehyde-oxime
3,5-Di-tert-butyl-4-hydroxy-benzaldehyd-oxim