CAS 495-74-9|2,4-Hexadiyn-1-one,1-phenyl-

Introduction:Basic information about CAS 495-74-9|2,4-Hexadiyn-1-one,1-phenyl-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name2,4-Hexadiyn-1-one,1-phenyl-
CAS Number495-74-9Molecular Weight168.19100
Density1.094g/cm3Boiling Point279.8ºC at 760mmHg
Molecular FormulaC12H8OMelting Point/
MSDS/Flash Point/

Names

Namecapillin
SynonymMore Synonyms

Chemical & Physical Properties

Density1.094g/cm3
Boiling Point279.8ºC at 760mmHg
Molecular FormulaC12H8O
Molecular Weight168.19100
Exact Mass168.05800
PSA17.07000
LogP1.89600
Vapour Pressure0.00393mmHg at 25°C
Index of Refraction1.575
InChIKeyRAZOKRUZEQERLH-UHFFFAOYSA-N
SMILESCC#CC#CC(=O)c1ccccc1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MM3622000
CHEMICAL NAME :
2,4-Hexadiynophenone
CAS REGISTRY NUMBER :
495-74-9
BEILSTEIN REFERENCE NO. :
1865168
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C12-H8-O
MOLECULAR WEIGHT :
168.20

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 :
6980 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 8(2),297,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 8(2),297,1982

Synonyms

1-phenylhexa-2,4-diyn-1-one
1-Phenyl-2,4-hexadiyn-1-one
2,4-HEXADIYNOPHENONE
1-Phenyl-hexa-2,4-diin-1-on
Capillin
1-phenyl-hexa-2,4-diyn-1-one
2,4-Hexadiyn-1-one,1-phenyl
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