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Merck
CN

78972

(R)-1-Phenyl-2-propen-1-ol

technical, ≥95% (sum of enantiomers, GC)

Synonym(s):

(R)-α-Vinylbenzyl alcohol

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About This Item

Empirical Formula (Hill Notation):
C9H10O
CAS Number:
104713-12-4
Molecular Weight:
134.18
PubChem Substance ID:
57652766
UNSPSC Code:
12352002
Beilstein/REAXYS Number:
4658061
MDL number:
MFCD00210081

Key Documents

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SMILES string

O[C@H](C=C)c1ccccc1

InChI

1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h2-7,9-10H,1H2/t9-/m1/s1

InChI key

MHHJQVRGRPHIMR-SECBINFHSA-N

grade

technical

assay

≥95% (sum of enantiomers, GC)

optical activity

[α]20/D +1.0±0.5°, c = 3.2% in chloroform

optical purity

enantiomeric ratio: ≥93:7 (GC)

refractive index

n20/D 1.543

density

1.021 g/mL at 20 °C (lit.)

storage temp.

−20°C

Other Notes

Chiral building block

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
53544/1

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D.A. Claremon et al.
Journal of the American Chemical Society, 108, 8265-8265 (1986)
Lin Yi et al.
Analytical and bioanalytical chemistry, 386(3), 666-674 (2006-05-26)
Characterizing the biological effects of metabolic transformations (or biotransformation) is one of the key steps in developing safe and effective pharmaceuticals. Sulfate conjugation, one of the major phase II biotransformations, is the focus of this study. While this biotransformation typically

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