10352-88-2

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10352-88-2 Structure

Identification	Back Directory
[Name] 2-HEPTENOIC ACID
[CAS] 10352-88-2
[Synonyms] 2-HEPTENOIC ACID Heptenoicacidtech HEPT-2-ENOIC ACID (E)-2-HEPTENOICACID RARECHEM AL BK 0163 (E)-hept-2-enoic acid TRANS-2-HEPTENOIC ACID trans-2-Heptenoic acid, tech., 90%
[EINECS(EC#)] 233-769-8
[Molecular Formula] C7H12O2
[MDL Number] MFCD00014019
[MOL File] 10352-88-2.mol
[Molecular Weight] 128.17

Chemical Properties	Back Directory
[Melting point ] -19°C (estimate)
[Boiling point ] 237.28°C (estimate)
[density ] 0,955 g/cm³
[FEMA ] 3920 \| (E)-2-HEPTENOIC ACID
[refractive index ] 1.4288 (estimate)
[pka] 4.79±0.10(Predicted)
[Odor] rancid
[JECFA Number] 1373
[InChI] InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/b6-5+
[InChIKey] YURNCBVQZBJDAJ-AATRIKPKSA-N
[SMILES] C(O)(=O)/C=C/CCCC
[LogP] 2.40

Hazard Information	Back Directory
[Definition] ChEBI: A 2-heptenoic acid having the trans configuration.
[Chemical Properties] (E)-2-Heptenoic acid has a disagreeable rancid aroma.

Spectrum Detail	Back Directory
[Spectrum Detail] 2-HEPTENOIC ACID(10352-88-2)¹HNMR 2-HEPTENOIC ACID(10352-88-2)¹³CNMR

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