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(S) (-) -alpha-Phenethyl alcohol 98%

CAT: 0286-P06583-01Size: 1 gDry Ice: NoHazardous: Yes
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CAT#:0286-P06583-01Size:1 g
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CAS Number
1445-91-6
Synonyms
(S) - (-) -1-Phenylethanol; (-) -Methyl phenyl carbinol; (S) - (-) -a-Methylbenzyl alcohol; (S) - (-) -sec-Phenylethyl alcohol
UN Code
UN2937
Pictogram
05 - Corrosive; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00064264
Hazard Statement
H227 Combustible liquid; H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Alpha-Methylbenzyl alcohol, liquid
DOT Classification
Class 6.1
Packaging Group
PGIII
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

1-Phenylethanol, (S)-

(S)-1-phenylethanol is the (S)-enantiomer of 1-phenylethanol. It has a role as a mouse metabolite. It is an enantiomer of a (R)-1-phenylethanol.

CAS Number1445-91-6
PubChem CID443135
IUPAC Name(1S)-1-phenylethanol
Molecular FormulaC8H10O
Molecular Weight122.16
XLogP1.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity74
SMILES
C[C@@H](C1=CC=CC=C1)O
InChI
InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1
InChIKey
WAPNOHKVXSQRPX-ZETCQYMHSA-N
Chemical Structure
2D Structure
2D structure of 1-Phenylethanol, (S)-
CAS: 1445-91-6
CID: 443135
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 Count1
Exact Mass122.073164938
Monoisotopic Mass122.073164938
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity74.6
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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