Basic information
- CAS
592-78-9- Standard SMILES
CCC=CCCC- InChIKey
WZHKDGJSXCTSCK-UHFFFAOYSA-N- Molecular formula
- C7H14
- Average molar mass
- 98.19 g/mol
- Monoisotopic mass
- 98.10955045
Names & identifiers
- Preferred name
- 3-Heptene
- IUPAC
- hept-3-ene
- English name
- trans-3-Heptene
- Molecular formula
- C7H14
- Molecular weight
- 98.19
Names & synonyms
3-HEPTENE592-78-9DTXSID10860874RM79G20M41RefChem:502137DTXCID80810280209-769-9Hept-3-ene3-Heptene (c,t)3-aHeptenehept-4-eneSCHEMBL38196
Show more names
4-Heptene(3E)-3-HepteneTRANS-HEPTENE-33-Heptene (cis-trans-3-Heptene3-heptene(cis+trans)3-HEPTENE, CIS AND TRANS
SCHEMBL56543SCHEMBL83366SCHEMBL83696SCHEMBL84464SCHEMBL103394SCHEMBL386400SCHEMBL386401SCHEMBL618069
Database identifiers
- CAS
592-78-9- PubChem CID
- 11612
- DTXSID
DTXSID10860874- EC Number
- 209-769-9
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 44
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesDensity
Physical DescriptionColorless liquid; Mixture of 50% cis and 50% trans isomers; [EPA OHM/TADS] Clear colorless liquid; [Aldrich MSDS]
Physicochemical properties
- Melting point
- 137 · −137-−136.6 °C(lit.)
- Boiling point
- 95 · 95-96 °C(lit.)
- Density
- 0.702 g/mL · 0.702 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.405
- Flash point
- 21 °F · 21 °F
- storage temp.
- 2 · 2-8°C
- BRN
- 1719014 · 1719014
- InChI
- 1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5+
- InChIKey
- WZHKDGJSXCTSCK-FNORWQNLSA-N
- SMILES
- CCC\C=C\CC
- LogP
- 3.864 · 3.864 (est)
- FDA UNII
- 79 G20M41 · RM79G20M41
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 2 · GHS02,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H304
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P301+P310-P331-P403+P235-P405-P501
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,Xn
- Risk Statements
- 11 · 11-65
- Safety Statements
- 16 · 16-62
- RIDADR
- 3295 · UN 3295 3/PG 2
- WGK Germany
- 3 · 3
- F
- 10 · 10-23
- HazardClass
- 3 · 3
- PackingGroup
- II
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 1 Flam · Asp. Tox. 1Flam. Liq. 2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
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 44 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA mild skin irritant; High concentrations may have narcotic effects; [EPA OHM/TADS] An irritant; [Aldrich MSDS]
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- F
- 10-23
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3295 3/PG 2
- risk_code
- 11-65
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08
- hazard_code
- F,Xn
- safety_code
- 16-62
- 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-P242-P243-P280-P303+P361+P353-P370+P378-P301+P310-P331-P403+P235-P405-P501
Chemistry & industry
Uses & manufacturing
UsesSuggested for use as a plant growth regulator; [EPA OHM/TADS]
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers17 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Aladdin Scientific[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]
南通合润生物科技有限公司18362409333 · [email protected]
TCI AMERICA800-4238616 · [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]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海宝杨宝欣生物科技有限公司021-56698539 19921169802 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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