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6-Hepten-1-ol

CAT: 0013-GTR19245746-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19245746-01Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
6-Hepten-1-ol possesses a floral and green aroma, making it a common flavoring agent in the food and beverage industry. Additionally, it serves as an intermediate in the synthesis of various organic compounds, including fragrances, pharmaceuticals, and agricultural chemicals. Its unique chemical properties render it a crucial component in numerous industrial processes, particularly in the manufacture of perfumes, air fresheners, and cleaners.
CAS Number
4117-10-6
Smiles
C=CCCCCCO
Molecular Formula
C7H14O
Molecular Weight
114.1855
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Hept-6-en-1-ol
CAS Number4117-10-6
PubChem CID543123
IUPAC Namehept-6-en-1-ol
Molecular FormulaC7H14O
Molecular Weight114.19
XLogP1.9
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count8
Formal Charge0
Complexity50
SMILES
C=CCCCCCO
InChI
InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h2,8H,1,3-7H2
InChIKey
UFULDTPDHIRNGS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hept-6-en-1-ol
CAS: 4117-10-6
CID: 543123
Formula: C7H14O
MW: 114.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight114.19
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass114.104465066
Monoisotopic Mass114.104465066
Topological Polar Surface Area20.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity50.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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