cis-3-Hexenoic acid

Base Information

• Chemical Name: cis-3-Hexenoic acid
• CAS No.: 1775-43-5
• Molecular Formula: C6H10 O2
• Molecular Weight: 114.144
• Hs Code.: 2916190090
• European Community (EC) Number: 224-157-1
• NSC Number: 26715
• UNII: 86H58C39ZV
• DSSTox Substance ID: DTXSID20883579
• Nikkaji Number: J98.005F
• Wikidata: Q27121593
• Metabolomics Workbench ID: 1119
• Mol file: 1775-43-5.mol

Synonyms:cis-3-Hexenoic acid;(Z)-3-hexenoic acid;1775-43-5;(Z)-hex-3-enoic acid;3-Hexenoic acid, (3Z)-;cis-hex-3-enoic acid;(3Z)-3-Hexenoic acid;3-HEXENOIC ACID;3-Hexenoic acid, (Z)-;3Z-hexenoic acid;Cis-3-hexenoicacid;(3Z)-hex-3-enoic acid;UNII-86H58C39ZV;86H58C39ZV;EINECS 217-205-8;C6:1n-3;4219-24-3;NSC-26715;hex-3c-enoic acid;cis-Hydrosorbic acid;cis-Hex-3-ensaeure;fema 3170;WLN: QV2U3;(3Z)-3-Hexenoic acid #;C6:1, n-3 cis;2-Pentene-1-carboxylic acid;6:1, n-3 cis;SCHEMBL1129707;3-HEXENOIC ACID, CIS-;FEMA NO. 4493;CHEBI:49284;cis-Hexenoic Acid Bri (Natural);DTXSID20883579;XXHDAWYDNSXJQM-ARJAWSKDSA-N;NSC26715;LMFA01030779;AKOS025116646;F18341;Q27121593

Chemical Property of cis-3-Hexenoic acid

Chemical Property:

• Vapor Pressure: 0.054mmHg at 25°C
• Refractive Index: 1.439-1.445
• Boiling Point: 209°Cat760mmHg
• Flash Point: 106.4°C
• PSA: 37.30000
• Density: 0.985g/cm³
• LogP: 1.42730
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 114.068079557
• Heavy Atom Count: 8
• Complexity: 94.7

Purity/Quality:

99.0% ^*data from raw suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 45-36/37/39-25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CCC(=O)O
• Isomeric SMILES: CC/C=C\CC(=O)O
• Uses: (3Z)-3-Hexenoic Acid is an unsaturated aliphatic acid used in the chemistry of flavors.

Technology Process of cis-3-Hexenoic acid

There total 12 articles about cis-3-Hexenoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 34.0%

(Z)-3-Hexen-1-ol (928-96-1) → (Z)-3-hexenoic acid (1775-43-5)

Guidance literature:

at 25 ℃; for 17h; electrolysis: nickel net anode, cylindrical stainless steel cathode; electrolyte: 0.18M KOH/t-butanol-water (1:1);

DOI:10.1016/0040-4020(82)80110-5

Reference yield:

sorbic Acid (110-44-1,91751-55-2) → (E)-3-hexenoic acid (1577-18-0) + (E)-2-Hexenoic acid (13419-69-7) + (Z)-3-hexenoic acid (1775-43-5) + hexanoic acid (142-62-1)

Guidance literature:

With hydrogen; C₉H₁₄ClO₄PRu; In n-heptane; water; at 80 ℃; for 15h; under 37503 Torr; Rate constant; Product distribution; selective two-phase-hydrogenation with various catalysts;

DOI:10.1016/S0022-328X(98)00874-2

Reference yield:

sorbic Acid (110-44-1,91751-55-2) → (E)-3-hexenoic acid (1577-18-0) + (E)-2-Hexenoic acid (13419-69-7) + (E)-hex-4-enoic acid (1577-20-4) + (Z)-3-hexenoic acid (1775-43-5)

Guidance literature:

With hydrogen; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate; [(C₅Me₅Ru(Sh⁴-CH₃(CH=CH)2COOH)(CF₃SO₃)]; In dibutyl ether; at 34 ℃; for 6h; under 12001 Torr; Further Variations:; Reagents; Solvents; Pressures; Temperatures; ratio; Activation energy; Kinetics; Product distribution;

upstream raw materials:

pent-2-ynecarboxylic acid

(Z)-3-Hexen-1-ol

(Z)-5-(Ethylthio)-3-hexenoic Acid

sorbic Acid

Downstream raw materials:

3-hydroxyhex-4-enoic acid

(E)-4-hydroxyhex-2-enoic acid

(Z)-3-hexenoic acid phenyl amide

C₁₆H₂₂OS