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2-Heptenoic acid

CAT: 0804-HY-W107869-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W107869-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2-Heptenoic acid is an unsaturated fatty acid. It is a clear, colorless liquid with a strong odour, and is commonly used in the flavor and fragrance industry for its pungent, anise-like odor. In addition, it can be used as an intermediate in the synthesis of other organic compounds, including pharmaceuticals and agrochemicals. Its unique chemical properties make it an important ingredient in a variety of industrial applications, including food and beverage production, cosmetics and personal care products.
CAS Number
18999-28-5
UNSPSC
12352200
Hazard Statement
H314
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/2-heptenoic-acid.html
Purity
97.0
Solubility
DMSO : 200 mg/mL (ultrasonic)
Smiles
CCCC/C=C/C(O)=O
Molecular Formula
C7H12O2
Molecular Weight
128.17
Precautions
H314
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

2-Heptenoic acid

2-heptenoic acid is a heptenoic acid with the double bond at position 2. It is a heptenoic acid and an alpha,beta-unsaturated monocarboxylic acid.

CAS Number18999-28-5
PubChem CID5282709
IUPAC Name(E)-hept-2-enoic acid
Molecular FormulaC7H12O2
Molecular Weight128.17
XLogP2.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity105
SMILES
CCCC/C=C/C(=O)O
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
Chemical Structure
2D Structure
2D structure of 2-Heptenoic acid
CAS: 18999-28-5
CID: 5282709
Formula: C7H12O2
MW: 128.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight128.17
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass128.083729621
Monoisotopic Mass128.083729621
Topological Polar Surface Area37.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity105
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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