Basic information
- Standard SMILES
CCCC=CC(=O)O- InChIKey
NIONDZDPPYHYKY-UHFFFAOYSA-N- Molecular formula
- C6H10O2
- Average molar mass
- 114.14 g/mol
- Monoisotopic mass
- 114.06807956
Overview
2-hexenoic acid has been reported in Prunus avium, Euphorbia tithymaloides, and other organisms with data available.
Names & identifiers
- Preferred name
- 2-Hexenoic acid
- IUPAC
- hex-2-enoic acid
- English name
- trans-2-Hexenoic acid
- Molecular formula
- C6H10O2
- Molecular weight
- 114.14
Names & synonyms
2-HEXENOIC ACIDDTXSID5061588CHEBI:61206BXY1L20879RefChem:1063292DTXCID8033485214-727-81191-04-42-hexenic acidSCHEMBL23615SCHEMBL891964SCHEMBL1005288
Show more names
FEMA 3169T2 HEXENOIC ACIDhex-2-enoic acidFEMA NUMBER 3169TIMTEC-BB SBB009088ISOHYDROSORBIC ACIDβ-propylacrylic acidButylideneacetic acidBETA-PROPYLACRYLIC ACID
SCHEMBL1792693SCHEMBL3175152SCHEMBL3670796SCHEMBL6199778SCHEMBL8879663SCHEMBL8879668NIONDZDPPYHYKY-UHFFFAOYSA-NAKOS025243617
Database identifiers
- CAS
1191-04-4- PubChem CID
- 14486
- DTXSID
DTXSID5061588- EC Number
- 214-727-8
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 94.7
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Melting point
- 33 · 33-35 °C(lit.)
- Boiling point
- 217 °C · 217 °C(lit.)
- Density
- 0.965 g/mL · 0.965 g/mL at 25 °C(lit.)
- vapor density
- 1 · >1 (vs air)
- refractive index
- 20 · n20/D 1.438(lit.)
- FLAVIS Number
- 8.119 · 08.119 | 2-Hexenoic acid
- Flash point
- 230 °F · >230 °F
- pka
- 4.8 · 4.80±0.10(Predicted)
- LogP
- 1.677 · 1.677 (est)
- CAS DataBase Reference
- 1191 · 1191-04-4(CAS DataBase Reference)
- FDA UNII
- 1 L20879 · BXY1L20879
- EPA Substance Registry System
- 2 · 2-Hexenoic acid (1191-04-4)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 2829 · UN 2829 8/PG 3
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 103 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2829 8/PG 3
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Hexenoic acid: INACTIVE
Upstream & downstream products
Downstream products
Suppliers44 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Syntechem Co.,Ltd[email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
广东谦进化学试剂有限公司0751-2818792 13435114148 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
康迪斯化工（湖北）有限公司13125172151 · [email protected]
南京多隆生物科技有限公司18905173768 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
四川海诺威科技有限公司13708085536 13708085536 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
上海彤源化工有限公司021-021-69182866 13701855675 · [email protected]
北京华扬致成科技有限公司13716033033 · [email protected]
上海蓝润化学有限公司021-69515658 ; 69515628 13701998368 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
上海康拓化工有限公司021-69185552 13701777608 · [email protected]
康迪斯化工(湖北)有限公司13343438265 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
成都京欣科技有限公司028-85005297 13980656781 · [email protected]
上海思言生物科技有限公司021-50908862，442785678，326799392 18721037013 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
上海习致化学有限公司021-69005855 13701817869 · [email protected]
上海朋索生化科技有限公司021-59118555 13701823997 · [email protected]
上海康曼生物科技有限公司18800375331 · [email protected]
烟台博运生物科技有限公司13793517650 13793517650 · [email protected]
湖北东曹化学科技有限公司027-83238443 13343438265 · [email protected]
上海出澄贸易有限公司021-5983532 15201998618 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
Nanjing Dolon Biotechnology Co.,Ltd.18905173768 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
武汉斯麦克生物科技有限公司18186154374 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
上海邦成化工有限公司021-69106960 13701823997 · [email protected]
Additional notes
DefinitionChEBI: (2E)-hexenoic acid is the (E)-stereoisomer of hexenoic acid. It has a role as a metabolite. It is a conjugate acid of a (2E)-hexenoate.
Related reactions
18 records
Linked notes
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