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202533

Sigma-Aldrich

1,3-Butadiene diepoxide

97%

Synonym(s):

1,2,3,4-Diepoxybutane

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About This Item

Empirical Formula (Hill Notation):
C4H6O2
CAS Number:
1464-53-5
Molecular Weight:
86.09
Beilstein:
8614599
MDL number:
MFCD00005120
UNSPSC Code:
12162002
PubChem Substance ID:
24852096
NACRES:
NA.23

vapor pressure

25 mmHg ( 56 °C)

Quality Level

200

Assay

97%

form

liquid

impurities

<3% methylene chloride

refractive index

n20/D 1.434 (lit.)

bp

56-58 °C/25 mmHg (lit.)

mp

2-4 °C (lit.)

density

1.113 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

C1OC1C2CO2

InChI

1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2

InChI key

ZFIVKAOQEXOYFY-UHFFFAOYSA-N

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Signal Word

Danger

Hazard Classifications

Acute Tox. 1 Inhalation - Acute Tox. 2 Dermal - Acute Tox. 3 Oral - Carc. 1B - Eye Dam. 1 - Flam. Liq. 3 - Muta. 1B - Skin Corr. 1B

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

114.8 °F - closed cup

Flash Point(C)

46 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCT8583
BCBQ5892V
BCCG3700
MKCL0607
MKBX4648V

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Melissa Goggin et al.
Chemical research in toxicology, 24(6), 809-817 (2011-04-02)
1,3-Butadiene (BD) is an important industrial and environmental chemical classified as a human carcinogen. The mechanism of BD-mediated cancer is of significant interest because of the widespread exposure of humans to BD from cigarette smoke and urban air. BD is
Michelle L Webb et al.
The Journal of hand surgery, 36(6), 1052-1057 (2011-04-26)
Fanconi anemia (FA) is a rare genetic disorder of DNA repair that with near uniformity leads to bone marrow failure and resulting morbidity and mortality. Approximately 50% of FA patients are born with anomalies of the thumb or thumb and
Ying Wen et al.
Mutation research, 716(1-2), 84-91 (2011-09-07)
1,3-Butadiene (BD) is an air pollutant and a known carcinogen. 1,2,3,4-Diepoxybutane (DEB), one of the major in vivo metabolites of BD, is considered the ultimate culprit of BD mutagenicity/carcinogenicity. DEB is a bifunctional alkylating agent, being capable of inducing the
Sung-Hee Cho et al.
Chemical research in toxicology, 25(3), 706-712 (2011-12-21)
1,2,3,4-Diepoxybutane (DEB) is reported to be the most potent mutagenic metabolite of 1,3-butadiene, an important industrial chemical and environmental pollutant. DEB is capable of inducing the formation of monoalkylated DNA adducts and DNA-DNA and DNA-protein cross-links. We previously reported that
Emily C Minerath et al.
Environmental science & technology, 43(21), 8133-8139 (2009-11-21)
Polyols and organic sulfates have recently been identified in the secondary organic aerosol (SOA) formed in the photooxidation of isoprene in both the laboratory and under ambient atmospheric conditions. Nuclear magnetic resonance methods were used to monitor the bulk reaction
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