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78929

Sigma-Aldrich

(S)-2-Phenyl-1-propanol

purum, ≥98.0% (sum of enantiomers, GC)

Synonym(s):

(S)-β-Methylphenethyl alcohol

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About This Item

Linear Formula:
CH3CH(C6H5)CH2OH
CAS Number:
37778-99-7
Molecular Weight:
136.19
Beilstein:
2500176
MDL number:
MFCD00145249
UNSPSC Code:
12352002
PubChem Substance ID:
329768196
NACRES:
NA.22

grade

purum

Assay

≥98.0% (sum of enantiomers, GC)

form

liquid

optical activity

[α]20/D −15.0±1°, c = 1% in toluene

refractive index

n20/D 1.526 (lit.)
n20/D 1.527

bp

214 °C (lit.)

density

1 g/mL at 25 °C (lit.)

SMILES string

C[C@H](CO)c1ccccc1

InChI

1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m1/s1

InChI key

RNDNSYIPLPAXAZ-MRVPVSSYSA-N

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Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

226.4 °F - closed cup

Flash Point(C)

108 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
1371718V
1317057
1371718
403152/1
1214024

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I F Gaunt et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 20(5), 519-525 (1982-10-01)
Phenylpropan-1-ol was added to the diet of groups of 15 male and 15 female rats to provide intakes of 0 (control), 10, 40 or 160 mg/kg/day for 13 wk. No effects on body weight, food intake, water intake, haematology, semi-quantitative
S Goenechea et al.
Zeitschrift fur Rechtsmedizin. Journal of legal medicine, 97(2), 83-88 (1986-01-01)
The behaviour of 2-phenyl-1-propanol (I) and 2-phenyl-2-propanol (II) and their glucuronides with HCl has been investigated. While I shows a high acidic constancy, II undergoes a partial conversion into 2-phenylpropane (III) which itself yields numerous products. The glucosidic bond of
K R Henne et al.
Biochemistry, 40(29), 8597-8605 (2001-07-18)
The active site topography of rabbit CYP4B1 has been studied relative to CYP2B1 and CYP102 using a variety of aromatic probe substrates. Oxidation of the prochiral substrate cumene by CYP4B1, but not CYP2B1 or CYP102, resulted in the formation of
W Gielsdorf et al.
Zeitschrift fur Rechtsmedizin. Journal of legal medicine, 89(3), 191-195 (1982-01-01)
The FAB (Fast Atom Bombardment)-mass spectrometric ionization technique, which has now been available for about 1 year, has been successfully employed in forensic toxicology. The mass spectral behaviour of some representative drug-glucuronides (Codeine, p-Nitrophenol and 2-Phenyl-1-propanol) were studied by positive-

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