Benzeneacetonitrile, a-[(6-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]-

Modify Date: 2024-03-01 11:51:49

Benzeneacetonitrile, a-[(6-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]- Structure
Benzeneacetonitrile, a-[(6-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]- structure
Common Name Benzeneacetonitrile, a-[(6-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]-
CAS Number 51371-34-7 Molecular Weight 457.42800
Density 1.59g/cm3 Boiling Point 743.3ºC at 760mmHg
Molecular Formula C20H27NO11 Melting Point 223-226ºC
MSDS N/A Flash Point 403.3ºC

 Names

Name Benzeneacetonitrile, .α.-[(6-O-.β.-D-glucopyranosyl-.β.-D-gluco-pyranosyl)oxy]
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.59g/cm3
Boiling Point 743.3ºC at 760mmHg
Melting Point 223-226ºC
Molecular Formula C20H27NO11
Molecular Weight 457.42800
Flash Point 403.3ºC
Exact Mass 457.15800
PSA 202.32000
Index of Refraction 1.649

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OO8460000
CHEMICAL NAME :
D,L-Mandelonitrile, beta-D-gentiobioside
CAS REGISTRY NUMBER :
51371-34-7
LAST UPDATED :
199509
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C20-H27-N-O11
MOLECULAR WEIGHT :
457.48
WISWESSER LINE NOTATION :
T6OTJ BOYR&CN CQ DQ EQ F10- BT6OTJ CQ DQ EQ F1Q -DL

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
517 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB288-558
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
19582 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB288-558
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
>6400 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Gastrointestinal - nausea or vomiting
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB288-559 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
250 mg/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
SCIEAS Science. (American Assoc. for the Advancement of Science, 1333 H St., NW, Washington, DC 20005) V.1- 1895- Volume(issue)/page/year: 215,1513,1982
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
225 mg/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
REFERENCE :
SCIEAS Science. (American Assoc. for the Advancement of Science, 1333 H St., NW, Washington, DC 20005) V.1- 1895- Volume(issue)/page/year: 215,1513,1982

 Synonyms

Isoamygdalin
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