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78978

Sigma-Aldrich

(S)-1-Phenyl-2-propyn-1-ol

≥99.0% (sum of enantiomers, GC)

Synonym(s):

(S)-α-Ethynylbenzyl alcohol

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About This Item

Empirical Formula (Hill Notation):
C9H8O
CAS Number:
Molecular Weight:
132.16
Beilstein:
3195858
MDL number:
UNSPSC Code:
12352003
PubChem Substance ID:
NACRES:
NA.22

Assay

≥99.0% (sum of enantiomers, GC)

form

liquid

optical activity

[α]20/D +28±2°, c = 3.2% in chloroform

optical purity

enantiomeric ratio: ≥98:2 (HPLC)

refractive index

n20/D 1.551

density

1.067 g/mL at 20 °C (lit.)

SMILES string

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

InChI

1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10H/t9-/m0/s1

InChI key

UIGLAZDLBZDVBL-VIFPVBQESA-N

Caution

may discolor to yellow during storage

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects

WGK

WGK 3

Flash Point(F)

210.2 °F - closed cup

Flash Point(C)

99 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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