2-Heptenoic acid

Base Information

Chemical Name:2-Heptenoic acid
CAS No.:10352-88-2
Molecular Formula:C7H12 O2
Molecular Weight:128.171
Hs Code.:
European Community (EC) Number:233-769-8,242-738-8
NSC Number:244947
UNII:1IB74EZ67V
DSSTox Substance ID:DTXSID80893639
Nikkaji Number:J49.374K,J98.009I
Wikidata:Q27117581
Metabolomics Workbench ID:447
Mol file:10352-88-2.mol

Synonyms:2-HEPTENOIC ACID;Hept-2-enoic acid;18999-28-5;(E)-Hept-2-enoic acid;10352-88-2;trans-2-Heptenoic acid;(E)-2-heptenoic acid;2-Heptenoic acid, (2E)-;alpha-heptenoic acid;2-Heptenoic acid, (E)-;2-Heptenoic acid, trans-;EINECS 242-738-8;(2E)-2-Heptenoic acid;(2E)-hept-2-enoic acid;UNII-1IB74EZ67V;1IB74EZ67V;C7:1n-5;EINECS 233-769-8;NSC-244947;3-(n-butyl)acrylic acid;2-Heptenic acid;Hept-2-ensaeure;Hept-2t-ensaeure;hept-2t-enoic acid;(E)-heptenoic acid;alpha.beta-Heptensaeure;trans-Hept-2-ensaeure;(E)-Hept-2-enoicacid;trans-hept-2-enoic acid;C7:1, n-5 trans;7:1, n-5 trans;2-Heptenoic acid (contains 3-Heptenoic acid);(1-hexenyl)carboxylic acid;E-2-HEPTENOIC ACID;trans-acide heptene-2-oique;Hex-1-ene-1-carboxylic acid;SCHEMBL193588;UNII-KZ9306E71N;(+/-)-(E)-heptenoic acid;alpha-Hexylen-alpha-carbonsaeure;FEMA NO. 3920;CHEBI:36152;CHEBI:38364;YURNCBVQZBJDAJ-AATRIKPKSA-;DTXSID80893639;KZ9306E71N;LMFA01030012;MFCD00014019;NSC244947;AKOS004908024;AKOS025311177;(E)-2-HEPTENOIC ACID [FHFI];C7:1, n-5;HY-W107869;NSC 244947;AS-75723;LS-74559;7:1, n-5;CS-0161412;H0426;EN300-1826913;A880435;Q27117581;InChI=1/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/b6-5+

Suppliers and Price of 2-Heptenoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 12 raw suppliers

Chemical Property of 2-Heptenoic acid

Chemical Property:

Vapor Pressure:0.0295mmHg at 25°C
Melting Point:-19°C (estimate)
Refractive Index:1.4288 (estimate)
Boiling Point:226.6°C at 760 mmHg
PKA:4.79±0.10(Predicted)
Flash Point:133.4°C
PSA：37.30000
Density:0,955 g/cm3
LogP:1.81740
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:128.083729621
Heavy Atom Count:9
Complexity:106

Purity/Quality:: 98%,99%, ^*data from raw suppliers

Safty Information:

Pictogram(s): R34:Causes burns.;
Hazard Codes:R34:Causes burns.;
Statements: 34
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC=CC(=O)O
Isomeric SMILES:CCCC/C=C/C(=O)O

Technology Process of 2-Heptenoic acid

There total 26 articles about 2-Heptenoic 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: 86.0%

: 110-62-3
pentanal

: 141-82-2
malonic acid

: 10352-88-2
E-hept-2-enoic acid

Guidance literature:: With piperidine; pyridine; at 20 - 45 ℃; for 24h;
DOI:10.3184/174751914X13989627250405

Reference yield: 84.0%

: 18829-55-5
(E)-2-Heptenal

: 10352-88-2
E-hept-2-enoic acid

Guidance literature:: With sodium chlorite; sodium dihydrogen phosphate monohydrate; 2-methyl-but-2-ene; In water; tert-butyl alcohol; at 20 ℃; for 12h;
DOI:10.1021/acs.orglett.5b00781