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685828

Sigma-Aldrich

(R)-1-Phenylethanol

97%

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Linear Formula:
C6H5CH(OH)CH3
CAS Number:
Molecular Weight:
122.16
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

97%

form

liquid

optical activity

[α]22/D +44.0°, c = 5%

refractive index

n20/D 1.528

density

0.9986 g/mL at 25 °C

SMILES string

C[C@@H](O)c1ccccc1

InChI

1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1

InChI key

WAPNOHKVXSQRPX-SSDOTTSWSA-N

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This Item
685836P13800363561
(R)-1-Phenylethanol 97%

Sigma-Aldrich

685828

(R)-1-Phenylethanol

1-Phenylethanol 98%

Sigma-Aldrich

P13800

1-Phenylethanol

form

liquid

form

liquid

form

-

form

liquid

refractive index

n20/D 1.528

refractive index

-

refractive index

n20/D 1.527 (lit.)

refractive index

n20/D 1.552 (lit.)

density

0.9986 g/mL at 25 °C

density

1.012 g/mL at 20 °C (lit.)

density

1.012 g/mL at 25 °C (lit.)

density

1.185 g/mL at 25 °C (lit.)

optical activity

[α]22/D +44.0°, c = 5%

optical activity

[α]22/D -44.0°, neat

optical activity

-

optical activity

[α]20/D −48°, c = 2.8 in cyclohexane

General description

(R)-1-Phenylethanol can be prepared from ethylbenzene via enantioselective hydroxylation of ethylbenzene catalyzed by peroxygenase enzyme.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2

Storage Class Code

6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

185.0 °F

Flash Point(C)

85 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Peroxygenase-Catalyzed Oxyfunctionalization Reactions Promoted by the Complete Oxidation of Methanol.
Ni Y, et al.
Angewandte Chemie (International Edition in English), 55(2), 798-801 (2016)
Sachiko Sugimoto et al.
Phytochemistry, 108, 189-195 (2014-12-03)
Three aromatic glycosides (1-3), two sulfur and nitrogen-containing compound glucosides (4, 5), and one flavonoid glycoside (6) were isolated from the leaves of Ixora undulata. Their structures were established by extensive 1D, 2D NMR, and HRESIMS experiments, and structure 4

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