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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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

78929-1G:
78929-VAR:
78929-5G:
78929-BULK:

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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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