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2-Phenylethanol

CAT: 0127-OR921810-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0127-OR921810-01Size:100 g
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CAS Number
60-12-8
MDL Number
MFCD00002886
Purity
95%
Smiles
OCCc1ccccc1

Chemical Information

2-Phenylethanol

2-phenylethanol is a primary alcohol that is ethanol substituted by a phenyl group at position 2. It has a role as a plant growth retardant, a fragrance, a Saccharomyces cerevisiae metabolite, a plant metabolite and an Aspergillus metabolite. It is a primary alcohol and a member of benzenes.

CAS Number60-12-8
PubChem CID6054
IUPAC Name2-phenylethanol
Molecular FormulaC8H10O
Molecular Weight122.16
XLogP1.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity65
SMILES
C1=CC=C(C=C1)CCO
InChI
InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
WRMNZCZEMHIOCP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenylethanol
CAS: 60-12-8
CID: 6054
Formula: C8H10O
MW: 122.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.16
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass122.073164938
Monoisotopic Mass122.073164938
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity65
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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CatalogName
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HY-B1290S2-Phenylethanol-d4
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