ChemicalBook--->CAS DataBase List--->497-06-3

497-06-3

497-06-3 Structure

497-06-3 Structure
IdentificationBack Directory
[Name]

3-BUTENE-1,2-DIOL
[CAS]

497-06-3
[Synonyms]

Erythrol
EPB(TM) DIOL
3-buten-1,2-diol
1-Butene-3,4-diol
3-BUTENE-1,2-DIOL
BUT-3-ENE-1,2-DIOL
R,S-3-BUTENE-1,2-DIOL
3,4-DIHYDROXY-1-BUTENE
1,2-Dihydroxy-3-butene
3,4-DIHYDROXY-1-BUTENE, 99+%
(R,S)-3-Butene-1,2-diol, 99+%
3-Butene-1,2-diol, EpBTM Diol
[EINECS(EC#)]

207-835-1
[Molecular Formula]

C4H8O2
[MDL Number]

MFCD00239410
[MOL File]

497-06-3.mol
[Molecular Weight]

88.11
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[Melting point ]

15.1°C (estimate)
[Boiling point ]

196.5 °C(lit.)
[density ]

1.047 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.462
[Fp ]

222 °F
[storage temp. ]

Amber Vial, -20°C Freezer, Under inert atmosphere
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Oil
[pka]

13.68±0.20(Predicted)
[color ]

Clear Colorless
[Specific Gravity]

1.047
[Optical Rotation]

1.7875°(C=1g/100ml DCM)
[BRN ]

1633578
[InChI]

InChI=1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2
[InChIKey]

ITMIAZBRRZANGB-UHFFFAOYSA-N
[SMILES]

C(O)C(O)C=C
Hazard InformationBack Directory
[Chemical Properties]

clear colorless liquid
[Uses]

Decomposition product of Erythritol.
[General Description]

3,4-Dihydroxy-1-butene, also known as 3-butene-1,2-diol (BDdiol), is a metabolite of 1,3-butadiene. It forms the precursor for synthesizing different chiral building blocks. BDdiol can undergo oxidation to form hydroxymethylvinyl ketone (HMVK). 1,2-epoxy-3-butene (EB) on hydrolysis in the presence of epoxide hydrolases (EH) forms BDdiol.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332
[Precautionary statements ]

P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
[Hazard Codes ]

Xn
[Risk Statements ]

36/37/38-20/21/22
[Safety Statements ]

36
[WGK Germany ]

3
[F ]

10
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Spectrum DetailBack Directory
[Spectrum Detail]

3-BUTENE-1,2-DIOL(497-06-3)1HNMR
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