ChemicalBook--->CAS DataBase List--->6117-80-2

6117-80-2

6117-80-2 Structure

6117-80-2 Structure
IdentificationMore
[Name]

2-Butene-1,4-diol
[CAS]

6117-80-2
[Synonyms]

1,4-BUTENEDIOL-[Z]
2-BUTENE-1,4-DIOL
CIS-1,4-DIHYDROXY-2-BUTENE
CIS-2-BUTENE-1,4-DIOL
(z)-2-butene-1,4-diol
(2Z)-2-Butene-1,4-diol
cis-2-Buten-1,4-diol
cis-but-2-ene-1,4-diol
cis-Butenediol
1,4-Butenediol-[2]
Butenediol,95%
cis-2-Butene-1,4-diol,97%
1,4-BUTENEDIOL (B2D)
2-Butene-1,4-diol, 97% cis
2-Butene-1,4-diol, (2Z)-
1,4-dihydroxy-cis-2-butene
2-Butene-1,4-diol
cis-2-Butene-1,4-diol, 96%, remainder trans-isomer
(Z)-1,4-Dihydroxy-2-butene
(Z)-But-2-ene-1,4-diol
[EINECS(EC#)]

228-085-1
[Molecular Formula]

C4H8O2
[MDL Number]

MFCD00002924
[Molecular Weight]

88.11
[MOL File]

6117-80-2.mol
Chemical PropertiesBack Directory
[Appearance]

clear liquid
[Melting point ]

4-10 °C(lit.)
[Boiling point ]

235 °C(lit.)
[density ]

1.072 g/mL at 20 °C(lit.)
[vapor pressure ]

0.87Pa at 25℃
[refractive index ]

n20/D 1.479
[Fp ]

128 °C
[storage temp. ]

Indoors
[solubility ]

Chloroform, Methanol
[form ]

Liquid
[pka]

13.88±0.10(Predicted)
[color ]

yellow
[Water Solubility ]

soluble
[BRN ]

1679241
[Stability:]

Light Sensitive
[InChI]

1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1-
[InChIKey]

ORTVZLZNOYNASJ-OWOJBTEDSA-N
[SMILES]

[H]\C(CO)=C(/[H])CO
[LogP]

-0.9 at 25℃
[CAS DataBase Reference]

6117-80-2(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Butene-1,4-diol, (Z)-(6117-80-2)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
[Signal word ]

Warning
[Hazard statements ]

H302-H373
[Precautionary statements ]

P260-P264-P270-P301+P312-P314-P501
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[RTECS ]

EM4970000
[REACH Registrations]

Active
[HS Code ]

29053980
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
STOT RE 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Formaldehyde-->Calcium carbide-->2-BUTENE-1,4-DIOL-->1-Butanol-->2-Butyne-1,4-diol-->Allyl alcohol
[Preparation Products]

Thiosulfan-->cis-1,4-Dichloro-2-butene-->2-Tridecen-1-ol, (2Z)--->oxirane-2,3-dimethanol-->8-Hexadecene-1,16-dicarboxylic acid-->2-HYDROXYTETRAHYDROFURAN
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

cis-2-Butene-1,4-diol(6117-80-2).msds
Hazard InformationBack Directory
[Chemical Properties]

clear liquid
[Uses]

cis-2-Butene-1, 4-diol is used as a probe for studying isomerization versus hydrogenation and hydrogenolysis reactions. (DPCB-OMe) efficiently catalyzes cyclodehydration of cis-2-butene-1,4-diol with active methylene compounds to give 2-vinyl-2,3-dihydrofurans in good to high yields. Grubbs's cross metathesis of eugenol with cis-2-butene-1, 4-diol to make a natural product, an organometallic experiment.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

2-Butene-1,4-diol(6117-80-2)MS
2-Butene-1,4-diol(6117-80-2)1HNMR
2-Butene-1,4-diol(6117-80-2)13CNMR
2-Butene-1,4-diol(6117-80-2)IR1
2-Butene-1,4-diol(6117-80-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Butene-1,4-diol, 97% cis(6117-80-2)
[Alfa Aesar]

cis-2-Butene-1,4-diol, 96%, remainder trans-isomer(6117-80-2)
[TCI AMERICA]

cis-2-Butene-1,4-diol,>94.0%(GC)(6117-80-2)
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