3-Hexenoic acid supplier | CasNO.4219-24-3

Name
CIS-3-HEXENOIC ACID
EINECS
CAS No. 4219-24-3
Article Data43
CAS DataBase
Density 0.985g/cm³
Solubility
Melting Point 12°C
Formula C6H10 O2
Boiling Point 209°Cat760mmHg
Molecular Weight 114.144
Flash Point 106.4°C
Transport Information
Appearance
Safety Moderately toxic by intraperitoneal and subcutaneous routes. When heated to decomposition it emits acrid smoke and fumes.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Hydrosorbicacid (6CI); NSC 26715; D3-Hexenoic acid
PSA 37.30000
LogP 1.42730

3-Hexenoic acid Chemical Properties

Molecule structure of 3-Hexenoic acid (CAS NO.4219-24-3) :

IUPAC Name: (E)-hex-3-enoic acid
Molecular Weight: 114.1424 g/mol
Molecular Formula: C₆H₁₀O₂
Density: 0.985 g/cm³
Melting Point: 12 deg C
Boiling Point: 209 °C at 760 mmHg
Flash Point: 106.4 °C
Index of Refraction: 1.455
Molar Refractivity: 31.46 cm³
Molar Volume: 115.8 cm³
Polarizability: 12.47*10^-24 cm³
Surface Tension: 34 dyne/cm
Enthalpy of Vaporization: 49.06 kJ/mol
Vapour Pressure: 0.0831 mmHg at 25 °C
log P (octanol-water): 1.840
Atmospheric OH Rate Constant: 5.87E-11 cm³/molecule-sec
XLogP3-AA: 1.2
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Exact Mass: 114.06808
MonoIsotopic Mass: 114.06808
Topological Polar Surface Area: 37.3
Heavy Atom Count: 8
Complexity: 94.7
Canonical SMILES: CCC=CCC(=O)O
Isomeric SMILES: CC/C=C/CC(=O)O
InChI: InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3+
InChIKey: XXHDAWYDNSXJQM-ONEGZZNKSA-N
EINECS: 224-157-1

3-Hexenoic acid Uses

3-Hexenoic acid (CAS NO.4219-24-3) is the allowing use of food with spice by GB 2760 1 96.

3-Hexenoic acid Production

3-Hexenoic acid (CAS NO.4219-24-3) is made by the condensation of butyraldehyde formed with malonic acid.

3-Hexenoic acid Toxicity Data With Reference

1.		ipr-mus LD50:1840 mg/kg		JPPMAB Journal of Pharmacy and Pharmacology. 21 (1969),85.
2.		scu-mus LD50:1840 mg/kg		JPPMAB Journal of Pharmacy and Pharmacology. 21 (1969),85.

3-Hexenoic acid Consensus Reports

Reported in EPA TSCA Inventory.

3-Hexenoic acid Safety Profile

Moderately toxic by intraperitoneal and subcutaneous routes. When heated to decomposition it emits acrid smoke and fumes.

3-Hexenoic acid Specification

3-Hexenoic acid (CAS NO.4219-24-3) is also called 3-02-00-01321 (Beilstein Handbook Reference) ; BRN 1745294 ;
FEMA No. 3170 ; Hydrosorbic acid ; NSC 26715 .3-Hexenoic acid (CAS NO.4219-24-3) is clear colorless to light yellow liquid. Natural products exist in eggs, fruit and so on.

Product Name

CIS-3-HEXENOIC ACID