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5-Hexen-1-ol

CAT: 0804-HY-W012995-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W012995-01Size:25 g
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Description
5-Hexen-1-ol, is an aromatic substance with aromas similar to substances such as herbs, tea and citrus. Therefore, it is usually used in the food, fragrance and perfume industries, and is widely used in the preparation of various food flavors, fragrances, taste flavoring agents, essential oils and cosmetics and other products.
CAS Number
821-41-0
UNSPSC
12352200
Hazard Statement
H226, H314
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/5-hexen-1-ol.html
Purity
99.17
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
C(CC=C)CCO
Molecular Formula
C6H12O
Molecular Weight
100.16
Precautions
H226, 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

5-Hexen-1-ol

5-hexen-1-ol has been reported in Thymus vulgaris with data available.

CAS Number821-41-0
PubChem CID69963
IUPAC Namehex-5-en-1-ol
Molecular FormulaC6H12O
Molecular Weight100.16
XLogP1.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count7
Formal Charge0
Complexity41
SMILES
C=CCCCCO
InChI
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6H2
InChIKey
UIZVMOZAXAMASY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Hexen-1-ol
CAS: 821-41-0
CID: 69963
Formula: C6H12O
MW: 100.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight100.16
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass100.088815002
Monoisotopic Mass100.088815002
Topological Polar Surface Area20.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity41.4
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