Diketene

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Names

[ CAS No. ]:
674-82-8

[ Name ]:
Diketene

[Synonym ]:
ACETYLKETENE
4-Methylidenoxetan-2-on
Acety ketene
Diketene(DK)
4-Methyleneoxetan-2-one
Ketene dimer
4-methylideneoxetan-2-one
EINECS 211-617-1
But-1-ene-1,3-dione
Ketenedimere
ethenone,dimer
MFCD00005173
Diketen
4-Methylene-2-oxetanone
Dikitene
diketene dimer
2-Oxetanone, 4-methylene-
Diketene

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
127.4±0.0 °C at 760 mmHg

[ Melting Point ]:
-7.5°C

[ Molecular Formula ]:
C₄H₄O₂

[ Molecular Weight ]:
84.073

[ Flash Point ]:
34.4±0.0 °C

[ Exact Mass ]:
84.021126

[ PSA ]:
26.30000

[ LogP ]:
0.27

[ Vapour density ]:
2.9 (vs air)

[ Vapour Pressure ]:
11.1±0.2 mmHg at 25°C

[ Index of Refraction ]:
1.450

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: RQ8225000

CHEMICAL NAME :: 2-Oxetanone, 4-methylene-

CAS REGISTRY NUMBER :: 674-82-8

BEILSTEIN REFERENCE NO. :: 0104541

LAST UPDATED :: 199710

DATA ITEMS CITED :: 15

MOLECULAR FORMULA :: C4-H4-O2

MOLECULAR WEIGHT :: 84.08

WISWESSER LINE NOTATION :: T4VOY DHJ CU1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,301,1986

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 2/20/1963

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. (Pittsburgh, PA) 1947-69. Volume(issue)/page/year: 6,1,1967

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,301,1986

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 2/20/1963

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. (Pittsburgh, PA) 1947-69. Volume(issue)/page/year: 6,1,1967 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 560 uL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 20000 ppm/1H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. (Pittsburgh, PA) 1947-69. Volume(issue)/page/year: 6,1,1967

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 800 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 2830 uL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 3 gm/m3/2H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,301,1986

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 10 mL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 1 mg/m3 JAN 1993

Safety Information

[ Symbol ]:

GHS02, GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H226-H302-H331

[ Precautionary Statements ]:
P261-P301 + P312 + P330-P304 + P340 + P312-P403 + P233-P403 + P235

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R10;R20

[ Safety Phrases ]:
S3-S36/37-S33-S24/25-S23-S16

[ RIDADR ]:
UN 2929 6.1/PG 2

[ WGK Germany ]:
2

[ RTECS ]:
RQ8225000

[ Packaging Group ]:
I

[ Hazard Class ]:
6.1(a)

Precursor & DownStream

Precursor

ketene
Acetone
Ethanone,1-(9H-carbazol-9-yl)-
Dichloromethane
carbon monoxide
Acetylphthalimide
Triethylamine
Acetyl chloride
Trimethylamine
Allene

DownStream

3-methyl-1,1-dioxo-6-phenyl-2H-1,2,6-thiadiazin-5-one
N-acetoacetyl-N'-phenylsulfamide
N-butyl-3-oxobutanamide
3-OXO-N-(3-PHENYL-PROPYL)-BUTYRAMIDE
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxobutanamide
5-Methyl-2-phenyl-oxazole-4-carboxylic acid Methyl ester
N-(4-Methoxyphenyl)-3-oxobutanamide
Acetoacetic-4-chloro-o-anisidide
1,1,1,3,3-Pentafluorobutane
8-Acetyl dimethoxycoumarin

Articles

Chemical reactivity and biological activity of diketene.

Chem. Res. Toxicol. 21(10) , 1964-9, (2008)

The alkylating potential of diketene (4-methylene-2-oxetanone), the basic unit of many derivatives of pesticides, chemicals, pharmaceuticals, and dyestuffs, was investigated kinetically. The nucleophi...

Novel approach to 1,5-benzodiazepine-2-ones containing peptoid backbone via one-pot diketene-based Ugi-4CR.

J. Comb. Chem. 12(4) , 497-502, (2010)

An efficient and simple route for preparation of substituted 1,5-benzodiazepine-2-one containing peptoid backbone is presented. The classical Ugi reaction is considerably extended by application of o-...

One-pot multicomponent synthesis of 1-aryl-5-methyl-N-R2-1H-1,2,3-triazole-4-carboxamides: an easy procedure for combinatorial chemistry.

J. Comb. Chem. 11(3) , 481-5, (2009)

A convenient synthetic protocol was elaborated for creation of combinatorial libraries of 1-(R(1)-phenyl)-5-methyl-N-R(2)-1H-1,2,3-triazole-4-carboxamides. As starting materials, commercially availabl...

Diketene
Diketene Acetone Adduct
5-Chloro-7-methylquinoxaline
2-Bromo-1-ethyl-1H-imidazole-5-carbaldehyde
(2r,3s)-3-(4-Bromophenyl)pyrrolidine-2-carboxylic acid
2-Amino-6-(trifluoromethoxy)nicotinic acid
5-Fluoro-2-(3-hydroxyprop-1-ynyl)benzaldehyde
(E)-6-Nitro-3-(2-(pyridin-2-yl)vinyl)-1H-indazole
2-Fluoro-5-(3-hydroxyprop-1-yn-1-yl)benzaldehyde
4-Iodo-2,3-dihydro-1H-inden-1-amine
(1S,3R)-3-aminocyclopentane-1-carbonitrile hydrochloride
2-Amino-3-(thiazol-2-yl)propanoicacidhydrochloride

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