Diketene
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
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
DownStream
Articles
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...