2-Butene-1,4-diol

HCID 8065CAS 110-64-5
Substructure searchFind similar structures

Basic information

Standard SMILES
OCC=CCO
InChIKey
ORTVZLZNOYNASJ-UHFFFAOYSA-N
Molecular formula
C4H8O2
Average molar mass
88.11 g/mol
Monoisotopic mass
88.0524295

Names & identifiers

Preferred name
2-Butene-1,4-diol
IUPAC
but-2-ene-1,4-diol
English name
2-Butene-1,4-diol
Molecular formula
C4H8O2
Molecular weight
88.11

Names & synonyms

2-Butene-1,4-diol110-64-5DTXSID9026849Butenediol1,4-DIHYDROXY-2-BUTENEDTXCID90809569NSC-976RefChem:570515203-787-02I323Z5567Agrisynth B2DNSC-1260
Show more names
1,4-Butendiolbutene-1,4-diolCIS-1,4-DIHYDROXY-2-BUTENE1,4-butene glycol1,4-dihydroxy-2-buten2-Butene-1agrisynthb2d
2-Butene-1,4-diol(cis+trans)but-2-ene-1,4-diol2-Buten-1,4-diolZ/E-But-2-ene-1,4-diorac-2-?Butene-?1,?4-?diol(Z)2-Butene-1,4-Diol1,4dihydroxybut-2-eneSCHEMBL41219

Database identifiers

CAS
110-64-5
PubChem CID
8065
DTXSID
DTXSID9026849
EC Number
203-787-0

Properties

Computed structural properties

XLogP
-0.8
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
6

Experimental & physicochemical properties

PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesChemical shift
OdorODORLESS
Density · 2 items

1.067-1.074

1.07 @25 °C

Color/FormALMOST COLORLESS LIQUID
SolubilityVERY SOL IN WATER, ETHYL ALCOHOL, ACETONE; SPARINGLY SOL IN BENZENE

Physicochemical properties

Melting point
4 · 4-10 °C(lit.)
Boiling point
235 °C · 235 °C(lit.)
Density
1.07 g/mL · 1.07 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.479
Flash point
230 °F · >230 °F
storage temp.
2 · Storage temp. 2-8°C

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

Hazard information

Regulatory Information · 2 items

Chemical: 2-Butene-1,4-diol

2-Butene-1,4-diol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryEmergency treatment: irritants; [HSDB] Causes convulsions in lethal-dose studies of rats (intraperitoneal); [RTECS] An irritant; [MSDSonline]
NFPA Hazard Classification · 3 items

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.

Hazard Classes and Categories · 2 items

Acute Tox. 4 (100%)

Self-reactive substances and mixtures - Type G

Safety & protection

Fire Fighting ProceduresWATER OR FOAM MAY CAUSE FROTHING. "ALCOHOL" FOAM.
Protective Action Criteria (PAC) · 3 items

3.8 [mg/m3]

41 [mg/m3]

250 [mg/m3]

Toxicology

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Human Toxicity ExcerptsPRIMARY SKIN IRRITANT.

Safety data

F
23
wgk
3
tsca
TSCA listed
rtecs
EM4970000
hs_code
29053990
risk_code
22-36/37/38

Chemistry & industry

Uses & manufacturing

Uses · 6 items

Used as a chemical intermediate for alkyd resins, plasticizers, nylon, pharmaceuticals, and endosulfan (an insecticide); Also used as a cross-linking agent for synthetic resins, in the manufacture of fungicides, as a comonomer for polyurethanes with toluene diisocyanates, and as a reducing agent in chrome tanning baths; [HSDB]

Plastic Composites Manufacturing [Category: Industry]

INTERMEDIATE FOR ALKYD RESINS, PLASTICIZERS, NYLON, PHARMACEUTICALS; CROSS LINKING AGENT FOR SYNTHETIC RESINS

MFR OF FUNGICIDES

CHEM INT FOR 1,4-BUTANEDIOL

CHEM INT FOR ENDOSULFAN (AN INSECTICIDE)

U.S. Exports · 2 items

(1979) No Data

(1981) No Data

U.S. Imports · 2 items

(1979) No Data

(1981) No Data

U.S. Production · 2 items

(1979) PROBABLY MORE THAN 2.27X10+6 GRAMS

(1981) PROBABLY MORE THAN 2.27X10+6 GRAMS

Methods of Manufacturing · 2 items

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

General Manufacturing Information · 2 items

2-Butene-1,4-diol: ACTIVE

TECHNICAL BUTENEDIOL IS PREDOMINANTLY THE CIS-ISOMER.

Applications · 2 items

Description2-Buten-1,4-diol is a palladium-containing compound that forms cross-links by reacting with an oxygen nucleophile. It reacts with nitrogen nucleophiles in the presence of hydrochloric acid to provide gamma-aminobutyric acid. This reaction mechanism is analogous to the way in which amines react with carboxylic acids to form amides. cis,trans-2-Buten-1,4-diol can be found in kinetic studies and its nmr spectra have been studied extensively.

UsesIt is used to make agricultural chemicalsand the pesticide endosulfan; and as anintermediate for making vitamin B.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

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Linked notes

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