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Key Documents

07366

Sigma-Aldrich

(R)-(+)-1-Phenylethanol

≥98.5% (sum of enantiomers, GC)

Synonym(s):

(+)-Methyl phenyl carbinol, (R)-(+)-α-Methylbenzyl alcohol

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About This Item

Empirical Formula (Hill Notation):
C8H10O
CAS Number:
Molecular Weight:
122.16
Beilstein:
2039798
MDL number:
UNSPSC Code:
12352002
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

≥98.5% (sum of enantiomers, GC)

form

liquid

optical activity

[α]/D +45±2°, c = 5% in methanol

optical purity

enantiomeric ratio: ≥97:3 (GC)

refractive index

n20/D 1.527

bp

88-89 °C/10 mmHg (lit.)

mp

9-11 °C (lit.)

density

1.012 g/mL at 20 °C (lit.)

functional group

hydroxyl
phenyl

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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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 - closed cup

Flash Point(C)

85 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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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