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cis-2-Butene-1,4-diol

cis-2-Butene-1,4-diol structure

CAS No:
6117-80-2
Formula:
C4H8O2
Chemical Name:
cis-2-Butene-1,4-diol
Synonyms:
2-Butene-1,4-diol,(2Z)-;2-Butene-1,4-diol,(Z)-;2-Butene-1,4-diol,cis-;(2Z)-2-Butene-1,4-diol;cis-2-Butene-1,4-diol;cis-1,4-Dihydroxy-2-butene;(Z)-1,4-Dihydroxy-2-butene;cis-But-2-en-1,4-diol;(Z)-2-Butene-1,4-diol;(Z)-2-Buten-1,4-diol;(Z)-2-Buten-1,4-diol;88450-00-4
Categories:
Chemical Reagents > Organic Reagents

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Description

clear liquid

Liquid

cis-2-Butene-1,4-diol Basic Attributes

Molecular Weight：

88.11

Exact Mass：

88.11

EC Number：

228-085-1

UNII：

ZA7VGU6SCV

NSC Number：

1260|976

DSSTox ID：

DTXSID9026849

Color/Form：

ALMOST COLORLESS LIQUID

HScode：

2905399090

Characteristics

PSA：

40.5

XLogP3：

-0.81 (LogP)

Appearance：

Liquid

Density：

1.082 g/cm³ @ Temp: 15 °C

Melting Point：

4 °C

Boiling Point：

235 °C

Flash Point：

85.4±16.4 °C

Refractive Index：

1.482

Water Solubility：

soluble

Storage Conditions：

Indoors

Vapor Density：

3.0 (AIR= 1)

Odor：

ODORLESS

Safety Information

wgk germany：

hazard class code：

R22

safety instructions：

S23-S24/25-S36-S26

RTECS Number：

EM4970000

Marks：

Xn:Harmful;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (97.87%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 48 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501

Fire Fighting Procedures：

WATER OR FOAM MAY CAUSE FROTHING. "ALCOHOL" FOAM.

NFPA Hazard Classification：

| 1 - Materials that, under emergency conditions, can cause significant irritation.| 1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.| 0 - Materials that in themselves are normally stable, even under fire conditions.

Drug Information

Human Toxicity Excerpts：

PRIMARY SKIN IRRITANT.

MeSH Entry Terms：

2-butene-1,4-diol

cis-2-Butene-1,4-diol Use and Manufacturing

Methods of Manufacturing

BY REDUCTION OF 2-BUTYNE-1,4-DIOL; BY HIGH PRESSURE SYNTHESIS FROM ACETYLENE & FORMALDEHYDE.|HYDROGENATION OF 2-BUTYNE-1,4-DIOL IN THE PRESENCE OF A RANEY NICKEL CATALYST

Uses

Intermediates

Production

(1979) PROBABLY MORE THAN 2.27X10+6 GRAMS|(1981) PROBABLY MORE THAN 2.27X10+6 GRAMS

Manufacturing Info：

Agriculture, forestry, fishing and hunting|2-Butene-1,4-diol: ACTIVE|TECHNICAL BUTENEDIOL IS PREDOMINANTLY THE CIS-ISOMER.

Computed Properties

Molecular Weight:88.11
XLogP3:-0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:88.052429494
Monoisotopic Mass:88.052429494
Topological Polar Surface Area:40.5
Heavy Atom Count:6
Complexity:34.8
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Formaldehyde

Calcium carbide

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CN
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cis-2-Butene-1,4-Diol 6117-80-2

CAS No.: 6117-80-2

Grade: Industrial Grade

Content: 98%

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5 YRS

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2-Butene-1,4-diol

CAS No.: 6117-80-2

Content: 99.00%

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