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706728

Sigma-Aldrich

4-Allyltoluene

97%

Synonym(s):

1-Allyl-4-methylbenzene

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About This Item

Empirical Formula (Hill Notation):
C10H12
CAS Number:
3333-13-9
Molecular Weight:
132.20
EC Number:
222-063-5
MDL number:
MFCD00048186
UNSPSC Code:
12352100
PubChem Substance ID:
329762664
NACRES:
NA.22

assay

97%

form

liquid

refractive index

n20/D 1.509

density

0.865 g/mL at 25 °C

SMILES string

Cc1ccc(CC=C)cc1

InChI

1S/C10H12/c1-3-4-10-7-5-9(2)6-8-10/h3,5-8H,1,4H2,2H3

InChI key

WAEOXIOXMKNFLQ-UHFFFAOYSA-N

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

hcodes

H226,H302

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

129.9 °F

flash_point_c

54.4 °C

ppe

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

Certificates of Analysis (COA)

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T Ishida et al.
Enantiomer, 3(2), 133-147 (1998-10-23)
Thirteen kinds of aromatic compounds (Alkyl- and alkenyl-) were administered to rabbits and the chiralities of their optical active metabolite were determined by the synthesis of the enantiomers or their derivatives. This work has revealed many examples of enantioselective biotransformations
T Matsumoto et al.
Biological & pharmaceutical bulletin, 17(11), 1441-1445 (1994-11-01)
4-Isopropenyltoluene (8) was administered orally to rabbits and the following four optically active metabolites, 2-(p-tolyl)propanoic acid (10), p-(1-carboxyethyl)benzoic acid (11), 2-hydroxy-2-(p-tolyl)propanoic acid (12), and 2-(p-tolyl)-1,2-propanediol (13) were isolated from urine in addition to an optically inactive metabolite, 4-isopropenylbenzoic acid (9).
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Molecules (Basel, Switzerland), 24(13) (2019-07-03)
Ceratitis capitata, the Mediterranean fruit fly, is one of the most serious agricultural pests worldwide responsible for significant reduction in fruit and vegetable yields. Eradication is expensive and often not feasible. Current control methods include the application of conventional insecticides

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