3-Hexene

HCID 11601
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Basic information

CAS
592-47-2
Standard SMILES
CCC=CCC
InChIKey
ZQDPJFUHLCOCRG-UHFFFAOYSA-N
Molecular formula
C6H12
Average molar mass
84.16 g/mol
Monoisotopic mass
84.09390038

Names & identifiers

Preferred name
3-Hexene
IUPAC
hex-3-ene
English name
3-Hexene (cis- and trans- mixture)
Molecular formula
C6H12
Molecular weight
84.16

Names & synonyms

3-HEXENEHex-3-ene592-47-2DTXSID907320240FC9RS24TCHEBI:176800RefChem:1067907DTXCID2042569209-758-9hexa-3-eneSCHEMBL8788SCHEMBL20322
Show more names
(E)-3-HEXENE(3E)-3-Hexene(Z+E)-3-hexene3-Hexene(cis-andtrans-mixture)>3-Hexene (cis- and trans- mixture)3-HEXENE (CIS- AND TRANS- MIXTURE) 95+%3-Hexene (cis- and trans- mixture)
SCHEMBL20658SCHEMBL20659SCHEMBL20660SCHEMBL43592SCHEMBL453915SCHEMBL581267SCHEMBL582994SCHEMBL1174180

Database identifiers

CAS
592-47-2、68526-52-3
PubChem CID
11601
DTXSID
DTXSID9073202
EC Number
209-758-9

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
2
Heavy atoms
6

Experimental & physicochemical properties

Vapor Pressure165.0 [mmHg]
Physical DescriptionColorless liquid with a mild odor; [CPChem MSDS]
Kovats Retention Index611；614；602

Physicochemical properties

Melting point
-113 °C · -113 °C
Boiling point
67 °C · 67 °C(lit.)
Density
0.677 g/mL · 0.677 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.394(lit.)
Flash point
10 °F · 10 °F
form
clear liquid

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, 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

Hazards SummaryMay cause mild skin, eye, and respiratory tract irritation; An aspiration hazard following ingestion; [CPChem MSDS] See 3-Heptene.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Asp. Tox. 1 (100%)

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome

Safety data

F
10-23
wgk
3
ridadr
UN 3295 3/PG 2
hs_code
2901.29.5000
risk_code
11-65
Signal word
Danger

Chemistry & industry

Upstream & downstream products

Suppliers21 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Additional notes

DefinitionChEBI: 3-hexene is an alkene that is hexane carrying a double bond at position 3.

Related reactions

2 records
New reaction record

Compound notes

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