CAS 592-45-0 trans-1,4-Hexadiene (HCID 5365552)

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Basic information

CAS: 592-45-0
Standard SMILES: C=CC/C=C/C
InChIKey: PRBHEGAFLDMLAL-GQCTYLIASA-N
Molecular formula: C6H10
Average molar mass: 82.14 g/mol
Monoisotopic mass: 82.07825032

Overview

(4E)-1,4-hexadiene has been reported in Solanum lycopersicum with data available.

Names & identifiers

Preferred name: trans-1,4-Hexadiene
IUPAC: (4E)-hexa-1,4-diene
English name: 1,4-HEXADIENE
Molecular formula: C6H10
Molecular weight: 82.14

Names & synonyms

trans-1,4-Hexadiene7319-00-8(4E)-hexa-1,4-diene1,4-Hexadiene, (4E)-(e)-1,4-hexadiene(4E)-1,4-HexadieneMFCD000092981,4-trans-hexadiene1,4-Hexadiene,c&t1,4-Hexadiene, cis + trans1,4-Hexadiene cis-trans1,4-Hexa-1,4-diene

Show more names

1,4-HEXADIENErans-1,4-Hexadiene1,trans-4-hexadiene(E)-CH2=CHCH2CH=CHCH3

17304456C61,4-Hexadiene, (E)-UNII-6PP6232O6RHSDB 5708EINECS 209-756-8UNII-17304456C6(E)-Hexa-1,4-dieneSCHEMBL22508

Database identifiers

CAS: 592-45-0、7318-67-4、7319-00-8
PubChem CID: 5365552
DTXSID: DTXSID50859500
ChEMBL: CHEMBL3182034
UNII: 17304456C6
EC Number: 680-010-5
Nikkaji: J102.103F、J147.952K

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 51.1

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: -138.7 °C · -138.7°C
Boiling point: 64 · 64-66 °C(lit.)
Density: 0.71 g/mL · 0.71 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.411(lit.)
Flash point: 14 °F · −14 °F
form: clear liquid
color: Colorless to Almost colorless
Henry's Law Constant: 8.3 · 8.3×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
InChI: InChI=1S/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3/b6-4+
InChIKey: PRBHEGAFLDMLAL-GQCTYLIASA-N
SMILES: C=CC/C=C/C
LogP: 2.91 · 2.910 (est)
CAS DataBase Reference

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

wgk: 3
ridadr: UN 2458 3/PG 2
hs_code: 2901.29.5000
risk_code: 11-36/37/38
Signal word: Danger
Symbol(GHS): GHS07,GHS02
hazard_code: F,Xi
safety_code: 16-26-36/37/39
hazard_class: 3
packing_group: II
Hazard statements: H319-H315-H225
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications

UsesAs third monomer in EPDM synthetic elastomers.

Upstream & downstream products

Downstream products

2,4-HEXADIENE

Suppliers31 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

上海仲因实业有限公司2537653158 16621191650 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

1 records

New reaction record

HRID 879043As reactantuspto-grants-2015_03

Compound notes

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