Basic information
- CAS
13269-52-8- Standard SMILES
CC/C=C/CC- InChIKey
ZQDPJFUHLCOCRG-AATRIKPKSA-N- Molecular formula
- C6H12
- Average molar mass
- 84.16 g/mol
- Monoisotopic mass
- 84.09390038
Names & identifiers
- Preferred name
- trans-3-Hexene
- IUPAC
- (E)-hex-3-ene
- English name
- TRANS-3-HEXENE
- Molecular formula
- C6H12
- Molecular weight
- 84.16
Names & synonyms
trans-3-Hexene13269-52-83-hexene, (3E)-3CO1LUX1ARNSC-74125CHEBI:176801RefChem:1100231236-261-4(E)-hex-3-ene(E)-3-Hexene3-Hexene, (E)-(3E)-3-Hexene
Show more names
3-HEXENE(E)-3-C6H123-hexene,(E)-trans-3-Hexene>trans-3-Hexene,98%
(3E)-hex-3-enetrans-Hex-3-eneUNII-40FC9RS24TMFCD00009386EINECS 209-758-9UNII-3CO1LUX1ARNSC 74125EINECS 236-261-4
Database identifiers
- CAS
13269-52-8、592-47-2- PubChem CID
- 638066
- DTXSID
DTXSID70891265- ChEBI
CHEBI:176800- UNII
- 3CO1LUX1AR
- EC Number
- 236-261-4
- Nikkaji
- J5.206J、J72H
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
Experimental & physicochemical properties
Physical DescriptionColorless liquid with a mild odor; [Alfa Aesar MSDS]
Kovats Retention Index
603.2；604；601.03；601.42；601；603.2；603；604；600；601；601；602.4；602.8；602；602；600；600；601；601；601
592.1；591；591.9；592.5；605.2；605.5；605.9；606.3；606.6；606.9；591.7；592.1；591.8；592.4；592；592；592.2；592；592；592.27
640；656；656；655.6；656.4；655.6；656.4；633；643
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
- storage temp.
- Flammables area
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 0.677 · 0.677
- Water Solubility
- Insoluble in water. Soluble in benzene, ligroin, ethanol, chloroform, ether.
- BRN
- 1718859 · 1718859
- Henry's Law Constant
- 2.6 · 2.6×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
- Dielectric constant
- 2 · 2.0
- InChI
- 1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5+
- InChIKey
- ZQDPJFUHLCOCRG-AATRIKPKSA-N
- SMILES
- CC\C=C\CC
- LogP
- 3.42 · 3.420 (est)
- FDA UNII
- 3 CO1LUX1AR · 3CO1LUX1AR
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H304
- Precautionary statements
- 210 · P210-P233-P240-P241-P301+P310-P331
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,Xn
- Risk Statements
- 11 · 11-65
- Safety Statements
- 9 · 9-16-23-29-33-62
- RIDADR
- 3295 · UN 3295 3/PG 2
- WGK Germany
- 3 · 3
- F
- 10 · 10-23
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29012900 · 29012900
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 1 Flam · Asp. Tox. 1Flam. Liq. 2
Safety & regulation
GHS classification
GHS Classification
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)
Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazards SummaryMay cause irritation; An aspiration hazard by ingestion (may cause lung damage); [Alfa Aesar MSDS] See 1-Hexene and 3-Hexene.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Asp. Tox. 1 (100%)
Safety data
- F
- 10-23
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3295 3/PG 2
- hs_code
- 29012900
- risk_code
- 11-65
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08
- hazard_code
- F,Xn
- safety_code
- 9-16-23-29-33-62
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H225-H304
- Hazard Classifications
- Asp. Tox. 1Flam. Liq. 2
- Precautionary statements
- P210-P233-P240-P241-P301+P310-P331
Chemistry & industry
Applications
UsesOligomers were prepared from the ozonolyses of cis- and trans-3-hexene and cis- and trans-2,5-dimethyl-3-hexene. Synthesis and characterization of aliphatic unsaturated polyesters is from trans-3-hexene.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers38 total
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]
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]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海和宁美生物医药科技有限公司021-18019086215 18019086215 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
上海启乔生物科技有限公司021-37653318 15221675714 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
山东天铭生物科技发展有限责任公司400-9019001 400-901-9001
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
Additional notes
DefinitionChEBI: 3-hexene is an alkene that is hexane carrying a double bond at position 3.
Related reactions
4 records
Compound notes
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