Basic information
- CAS
1577-22-6- Standard SMILES
C=CCCCC(=O)O- InChIKey
XUDOZULIAWNMIU-UHFFFAOYSA-N- Molecular formula
- C6H10O2
- Average molar mass
- 114.14 g/mol
- Monoisotopic mass
- 114.06807956
Overview
Delta-hexenoic acid is a medium-chain fatty acid.
Names & identifiers
- Preferred name
- 5-Hexenoic Acid
- IUPAC
- hex-5-enoic acid
- English name
- 5-HEXENOIC ACID
- Molecular formula
- C6H10O2
- Molecular weight
- 114.14
Names & synonyms
5-HEXENOIC ACID1577-22-65HL6OL352WDTXSID30166305RefChem:536105DTXCID1088796628-738-4Hex-5-enoic acid5-HEXENOICACIDdelta-hexenoic acidMFCD00046558C6:1n-1
Show more names
5-HexenoicAcid>RARECHEM AL BO 06385-HEXENOIC ACID 99%5-HEXENOIC ACID 98+%5-Hexenoic acid, GC 96%5-Hexenoic acid,97%(stabilized with MEHQ)5-HEXENOIC ACID, 98%5-HEXENOIC ACID, 98%5-HEXENOIC ACID, 98%5-HEXENOIC ACID, 98%
5-Hexenoic acid, 98%LMFA01030011SY050075CS-0113496H0875EN300-99074J-640339Z1205493561
Database identifiers
- CAS
1577-22-6- PubChem CID
- 15308
- DTXSID
DTXSID30166305- ChEBI
CHEBI:180388- UNII
- 5HL6OL352W
- EC Number
- 628-738-4
- Nikkaji
- J98.008K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 86.5
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- -37 °C · -37°C
- Boiling point
- 105 °C/15 · 105 °C/15 mmHg (lit.)
- Density
- 0.961 g/mL · 0.961 g/mL at 25 °C (lit.)
- refractive index
- 1.434 · 1.4340
- Flash point
- 107 °C/17mm · 107°C/17mm
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- pka
- 4.76 · 4.76±0.10(Predicted)
- Specific Gravity
- 0.961 · 0.961
- color
- Colorless to Light yellow
- Water Solubility
- Insoluble in water.
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 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- 3265
- hs_code
- 29161900
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45-27
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
Chemistry & industry
Applications
Uses5-Hexenoic acid is used as an organic chemical synthesis intermediate.
Uses5-Hexenoic acid may be used for the preparation of iodolactone derivatives and fluorine-containing δ-valerolactones.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海康恩博医药科技有限公司17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Related reactions
25 records
Compound notes
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