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Merck
CN

78974

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

≥97.0% (sum of enantiomers, GC)

Synonym(s):

(S)-α-Vinylbenzyl alcohol

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About This Item

Empirical Formula (Hill Notation):
C9H10O
CAS Number:
39623-35-3
Molecular Weight:
134.18
UNSPSC Code:
12352002
NACRES:
NA.22
PubChem Substance ID:
57652767
MDL number:
MFCD00210082
Beilstein/REAXYS Number:
5476649

Key Documents

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InChI

1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h2-7,9-10H,1H2/t9-/m0/s1

SMILES string

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

InChI key

MHHJQVRGRPHIMR-VIFPVBQESA-N

assay

≥97.0% (sum of enantiomers, GC)

optical activity

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

optical purity

enantiomeric ratio: ≥97:3 (GC)

refractive index

n20/D 1.543

density

1.021 g/mL at 20 °C (lit.)

storage temp.

2-8°C

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
62087/1

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Hisashi Matsuda et al.
Bioorganic & medicinal chemistry letters, 15(7), 1949-1953 (2005-03-23)
1'S-1'-Acetoxychavicol acetate from the rhizomes of Alpinia galanga inhibited nitric oxide (NO) production in lipopolysaccharide-activated mouse peritoneal macrophages with an IC(50) value of 2.3 microM. To clarify the structure-activity relationship of 1'S-1'-acetoxychavicol acetate, various natural and synthetic phenylpropanoids and synthetic

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