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Safety Information

685828

Sigma-Aldrich

(R)-1-Phenylethanol

97%

Synonym(s):

(+)-α-Methylbenzyl alcohol, (+)-α-Phenethyl alcohol, (+)-α-Phenylethanol, (+)-1-Phenylethanol, (+)-1-Phenylethyl alcohol, (+)-sec-Phenethyl alcohol

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About This Item

Linear Formula:
C6H5CH(OH)CH3
CAS Number:
1517-69-7
Molecular Weight:
122.16
MDL number:
MFCD00064263
UNSPSC Code:
12352002
PubChem Substance ID:
329761001
NACRES:
NA.22

Quality Level

100

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

Related Categories

General description

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

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H315,H319

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 - closed cup

Flash Point(C)

85 °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

685828-BULK:
685828-VAR:
685828-5G:
685828-25G:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCH8494
MKCC3060
MKBW6319V
MKBV1247V
MKBN7306V

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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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