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Benzyl alcohol

CAT: 0957-S4600Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0957-S4600Size:100 mg
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Description
Benzyl alcohol (Phenylmethanol, Benzenemethanol, Phenylcarbinol, Benzoyl alcohol) is used as a local anesthetic. Also, it is used in the manufacture of other benzyl compounds, as a pharmaceutic aid, and in perfumery and flavoring.
CAS Number
100-51-6
Synonyms
Phenylmethanol, Benzenemethanol, Phenylcarbinol, Benzoyl alcohol
Target
Others
Activity
Others
Molecular Formula
C7H8O
Storage Conditions
2 years -20°C liquid

Chemical Information

Benzyl Alcohol

Benzyl alcohol is an aromatic alcohol that consists of benzene bearing a single hydroxymethyl substituent. It has a role as an antioxidant, a metabolite, a solvent and a fragrance.

CAS Number100-51-6
PubChem CID244
IUPAC Namephenylmethanol
Molecular FormulaC7H8O
Molecular Weight108.14
XLogP1.1
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity55
SMILES
C1=CC=C(C=C1)CO
InChI
InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey
WVDDGKGOMKODPV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzyl Alcohol
CAS: 100-51-6
CID: 244
Formula: C7H8O
MW: 108.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight108.14
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass108.057514874
Monoisotopic Mass108.057514874
Topological Polar Surface Area20.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity55.4
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

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