4-Hexenoic acid
Basic information
- CAS
35194-36-6- Standard SMILES
CC=CCCC(=O)O- InChIKey
NIDHFQDUBOVBKZ-UHFFFAOYSA-N- Molecular formula
- C6H10O2
- Average molar mass
- 114.14 g/mol
- Monoisotopic mass
- 114.06807956
Names & identifiers
- Preferred name
- 4-Hexenoic acid
- IUPAC
- hex-4-enoic acid
- English name
- 4-Hexenoic acid
- Molecular formula
- C6H10O2
- Molecular weight
- 114.14
Names & synonyms
35194-36-6DTXSID201316878RefChem:1070712DTXCID5013331324-Hexenoic acidHex-4-enoic acid4-Hexenoic acid, cis + transSCHEMBL241574SCHEMBL3104637SCHEMBL9113598NIDHFQDUBOVBKZ-UHFFFAOYSA-NNS00054234
Show more names
Hex-4-enoic acid 98%4-Hexenoicacid,cis+trans,98%Hex-4-enoic acid, mixture of cis/trans isomers 98%
G74667F552744Q27117511
Database identifiers
- CAS
35194-36-6- PubChem CID
- 101384
- DTXSID
DTXSID201316878- EC Number
- 252-427-9
Properties
Computed structural properties
- XLogP
- 1.1
- 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
Physicochemical properties
- Melting point
- 17.3 °C · 17.3°C (estimate)
- Boiling point
- 100 °C · 100°C 10mm
- Density
- 0.958 · 0.958
- refractive index
- 1.439 · 1.4390
- Flash point
- 100 °C/10mm · 100°C/10mm
- storage temp.
- Store at room temperature
- pka
- 4.68 · 4.68±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- BRN
- 1720995 · 1720995
- LogP
- 1.493 · 1.493 (est)
- CAS DataBase Reference
- 35194 · 35194-36-6
- FDA UNII
- 2 A7VWZ5R · TK2A7VWZ5R
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- ridadr
- 3265
- hs_code
- 2916199590
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Hazard statements
- H314
- Precautionary statements
- P280
Chemistry & industry
Additional notes
DefinitionChEBI: Hex-4-enoic acid is a hexenoic acid with the double bond at position 4.
Suppliers
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Related reactions
3 records
Compound notes
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