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A29402

Sigma-Aldrich

Allylbenzene

98%

Synonym(s):

3-Phenyl-1-propene

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About This Item

Linear Formula:
C6H5CH2CH=CH2
CAS Number:
300-57-2
Molecular Weight:
118.18
Beilstein/REAXYS Number:
1098501
EC Number:
206-095-7
MDL number:
MFCD00008651
UNSPSC Code:
12352100
PubChem Substance ID:
24890709
NACRES:
NA.22

Quality Level

100

assay

98%

form

liquid

refractive index

n20/D 1.511 (lit.)

bp

156-157 °C (lit.)

density

0.892 g/mL at 25 °C (lit.)

SMILES string

C=CCc1ccccc1

InChI

1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2

InChI key

HJWLCRVIBGQPNF-UHFFFAOYSA-N

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General description

Allylbenzene, also known as 3-phenylpropene, is an organic compound used as a source of the allyl group in allylation reactions.

pictograms

FlameHealth hazard
GHS02,GHS08

signalword

Danger

Hazard Classifications

Asp. Tox. 1 - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

104.0 °F - closed cup

flash_point_c

40 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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3-Phenyl-1-propyne contains ca.250 ppm BHT as inhibitor, 97%

Sigma-Aldrich

376841

3-Phenyl-1-propyne

Hamid Sadeghian et al.
Journal of enzyme inhibition and medicinal chemistry, 26(2), 238-244 (2010-10-14)
A group of 2-alkoxy-5-methoxyallylbenzene were designed, synthesised and evaluated as potential inhibitors of the soybean 15-lipoxygenase (SLO) on the basis of the eugenol and esteragol structures. Compound 4d showed the best half maximal inhibitory concentration (IC₅₀) for SLO inhibition (IC₅₀ = 5.9 ± 0.6
Eric A Standley et al.
Journal of the American Chemical Society, 135(4), 1585-1592 (2013-01-16)
The synthesis and characterization of the air-stable nickel(II) complex trans-(PCy(2)Ph)(2)Ni(o-tolyl)Cl is described in conjunction with an investigation of its use for the Mizoroki-Heck-type, room temperature, internally selective coupling of substituted benzyl chlorides with terminal alkenes. This reaction, which employs a
Mitsuo Miyazawa et al.
Natural product research, 19(1), 29-36 (2005-02-11)
A methanol extract from Asiasarum heterotropoides showed a suppressive effect of the SOS-including activity on the mutagen 2-amino-3,4-dimethylimidazo[4,5-f]quinoline (MeIQ) in the Salmonella typhimurium TA1535/pSK1002 umu test. The methanol extract was re-extracted with chloroform, butanol, and water. The chloroform fraction showed
J R Idle
Prague medical report, 106(1), 27-38 (2005-07-13)
The typical spices used in winter include nutmeg, cinnamon, clove and anise. These spices contain two groups of chemicals, the allylbenzenes and their isomers, the propenylbenzenes. It was suggested 40 years ago by Alexander Shulgin that these substances act as
Thi X Thi Luu et al.
Molecules (Basel, Switzerland), 14(9), 3411-3424 (2009-09-29)
Essential oil allylbenzenes from have been converted quickly and efficiently into the corresponding benzaldehydes in good yields by a two-step "green" reaction pathway based on a solventless alkene group isomerization by KF/Al(2)O(3) to form the corresponding 1-arylpropene and a subsequent
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