Basic information
- CAS
7642-09-3- Standard SMILES
CC/C=C\CC- InChIKey
ZQDPJFUHLCOCRG-WAYWQWQTSA-N- Molecular formula
- C6H12
- Average molar mass
- 84.16 g/mol
- Monoisotopic mass
- 84.09390038
Overview
Cis-3-hexene is a 3-hexene in which the double bond adopts a cis-configuration.
Names & identifiers
- Preferred name
- cis-3-Hexene
- IUPAC
- (Z)-hex-3-ene
- English name
- cis-3-hexene
- Molecular formula
- C6H12
- Molecular weight
- 84.16
Names & synonyms
cis-3-Hexene7642-09-3(Z)-3-Hexene(Z)-hex-3-ene(3Z)-3-Hexene3-Hexene, (Z)-(3Z)-hex-3-ene3-hexene, (3Z)-MFCD0008530050181BZ6YTNSC-74124cis-hex-3-ene
Show more names
(Z)-3-C6H123-hexene,(Z)-cis-3-Hexene>3-Hexene, (3Z)-cis-3-hexene93+%
(3Z)-3-Hexene #3-HEXENE (CIS)3-HEXENE, CIS-SCHEMBL28935SCHEMBL120668SCHEMBL121614UNII-50181BZ6YTcis-3-Hexene, >=95.0%
Database identifiers
- CAS
7642-09-3- PubChem CID
- 643783
- DTXSID
DTXSID30891266- ChEBI
CHEBI:176792- UNII
- 50181BZ6YT
- EC Number
- 627-162-0
- Nikkaji
- J43.521J
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
- Formal charge
- 0
- Complexity
- 29.3
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionLight yellow liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -137.82 °C · -137.82°C
- Boiling point
- 67 °C · 67 °C
- Density
- 0.677 · 0.677
- refractive index
- 1.3935 · 1.3935-1.3955
- Flash point
- -12 °C · -12 °C
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 0.677 · 0.677
- BRN
- 1718858 · 1718858
- Henry's Law Constant
- 2.6 · 2.6×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
- Dielectric constant
- 2.1 · 2.1(24℃)
- InChI
- 1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5-
- InChIKey
- ZQDPJFUHLCOCRG-WAYWQWQTSA-N
- SMILES
- CC\C=C/CC
- LogP
- 3.42 · 3.420 (est)
- FDA UNII
- 50181 BZ6YT · 50181BZ6YT
- EPA Substance Registry System
- 3 · 3-Hexene, (3Z)- (7642-09-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H304-H319
- Precautionary statements
- 210 · P210-P233-P240-P301+P310-P305+P351+P338-P331
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn-F,Xn,F
- Risk Statements
- 65 · 65-11-36
- Safety Statements
- 62 · 62-16-26
- RIDADR
- 3295 · 3295
- WGK Germany
- 3 · 3
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29012990 · 29012990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 1 Eye · Asp. Tox. 1Eye Irrit. 2Flam. Liq. 2
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P264+P265, P280, P301+P316, P303+P361+P353, P305+P351+P338, P331, P337+P317, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 67 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryAn irritant that may cause severe eye irritation; An aspiration hazard by ingestion (may cause lung damage); [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- 3295
- hs_code
- 29012990
- risk_code
- 65-11-36
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- hazard_code
- Xn-F,Xn,F
- safety_code
- 62-16-26
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H225-H304-H319
- Hazard Classifications
- Asp. Tox. 1Eye Irrit. 2Flam. Liq. 2
- Precautionary statements
- P210-P233-P240-P301+P310-P305+P351+P338-P331
Chemistry & industry
Applications
Usescis-3-Hexene is used as an organic chemical synthesis intermediate.
General Descriptioncis-3-Hexene is a symmetrical cis-disubstituted alkene that can be prepared by the hydroboration of 3-hexyne followed by protonolysis. The gas-phase study of its molecular structure by electron diffraction combined with molecular mechanical calculations reveals the presence of the (+ac, +ac) and the (-ac, +ac) forms. cis-3-Hexene undergoes epoxidation with dimethyldioxirane to form the corresponding epoxide.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers34 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Additional notes
DefinitionChEBI: Cis-3-hexene is a 3-hexene in which the double bond adopts a cis-configuration. In this compound, there are two hydrogen atoms on one side and two ethyl groups on the other side of the double bond. The structures of cis-3-hexene and trans-3-hexene in gas phase were determined using electron diffraction and molecular mechanical calculations.
Related reactions
2 records
Compound notes
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