1,2,3,4-diepoxybutane

Modify Date: 2025-08-23 14:59:55

1,2,3,4-diepoxybutane structure	Common Name	1,2,3,4-diepoxybutane
	CAS Number	298-18-0	Molecular Weight	86.089
	Density	1.4±0.1 g/cm3	Boiling Point	138.0±0.0 °C at 760 mmHg
	Molecular Formula	C₄H₆O₂	Melting Point	2-4ºC
	MSDS	Chinese	Flash Point	45.6±0.0 °C

Name	1,2,3,4-diepoxybutane
Synonym	More Synonyms

Density	1.4±0.1 g/cm3
Boiling Point	138.0±0.0 °C at 760 mmHg
Melting Point	2-4ºC
Molecular Formula	C₄H₆O₂
Molecular Weight	86.089
Flash Point	45.6±0.0 °C
Exact Mass	86.036781
PSA	25.06000
LogP	-0.52
Vapour Pressure	8.5±0.2 mmHg at 25°C
Index of Refraction	1.546
InChIKey	ZFIVKAOQEXOYFY-IMJSIDKUSA-N
SMILES	C1OC1C1CO1

1,2,3,4-diepoxybutane MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EJ8400000

CAS REGISTRY NUMBER :: 298-18-0

LAST UPDATED :: 199712

DATA ITEMS CITED :: 33

MOLECULAR FORMULA :: C4-H6-O2

MOLECULAR WEIGHT :: 86.10

WISWESSER LINE NOTATION :: T3OTJ B- BT3OTJ -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 :: 210 mg/kg

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

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

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 56 ppm/4H

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

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 800 mg/kg

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

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 335 mg/kg/67W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 132 mg/kg/66W-I

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 13200 ug/kg/68W-I

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 13 gm/kg/11W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 24 gm/kg/68W-I

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 260 mg/kg/65W-I

TOXIC EFFECTS :: Tumorigenic - neoplastic by RTECS criteria Tumorigenic - tumors at site of application

TYPE OF TEST :: Micronucleus test

TYPE OF TEST :: DNA damage

TYPE OF TEST :: Micronucleus test

TYPE OF TEST :: DNA damage

TYPE OF TEST :: Unscheduled DNA synthesis

TYPE OF TEST :: Cytogenetic analysis

TYPE OF TEST :: Cytogenetic analysis

TYPE OF TEST :: Sister chromatid exchange

TYPE OF TEST :: Sister chromatid exchange

TYPE OF TEST :: Cytogenetic analysis

TYPE OF TEST :: Cytogenetic analysis

TYPE OF TEST :: Sister chromatid exchange

TYPE OF TEST :: Sister chromatid exchange

MUTATION DATA

TYPE OF TEST :: Mutation in mammalian somatic cells

TEST SYSTEM :: Rodent - hamster Ovary

DOSE/DURATION :: 25 umol/L

REFERENCE :: EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 21,95,1993 *** REVIEWS *** IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 11,115,1976 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 11,115,1976 IARC Cancer Review:Group 2B IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987

Precursor 0
DownStream 1
CAS#:299-74-1 1,2,3,4-Butanet...

2,2'-Bioxirane, (2R,2'R)-

L-Diepoxybutane

UNII:GQK28B9ZWF

L-Butadiene diepoxide

1,2:3,4-Butadiene diepoxide

EINECS 206-060-6

Butane,L-1,2:3,4-diepoxy

L-1,2:3,4-Diepoxybutane

D,L-1,2,3,4-diepoxybutane

1,2:3,4-Dianhydro-DL-threitol

(2R,2'R)-2,2'-Bioxirane

Threitol, 1,2:3,4-dianhydro-

MFCD00151321

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