para-alpha-dimethyl styrene

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IUPAC name :

1-methyl-4-prop-1-en-2-ylbenzene

InChI :

InChI=1/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3

InChIKey :

MMSLOZQEMPDGPI-UHFFFAOYAY

SMILES :

CC1=CC=C(C=C1)C(=C)C

(EINECS) number :	214-795-9
cas number :	1195-32-0
fema number :	3144
coe number :	2260
jecfa number :	1333
fl. number :	01.010
molar refractivity :	45.27 ± 0.3 cm3
parachor :	350.0 ± 4.0 cm3
index of refraction :	1.509 ± 0.02
surface tension :	28.4 ± 3.0 dyne/cm
density :	0.872 ± 0.06 g/cm3
polarizability :	17.94 ± 0.5 10-24cm3
xlogp :	3.80
molecular weight :	132.2022800
formula :	C10 H12

fda reg :

unspecified

h. number :

unspecified

organoleptics :

odor type :

phenolic

odor strength :

high ,
recommend smelling in a 0.10 % solution or less

odor description :
at 0.10 % in dipropylene glycol.

phenolic spicy styrene eugenol guaiacol

taste description³ :

at 2.50 ppm.
Spicy, balsamic, musty and eugenol / guaiacol-like with a nutty nuance

properties :

appearence :

colorless clear liquid

assay :

94.00 - 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.89400 - 0.90200 @ 25.00 °C.

pounds per gallon - calc. :

7.439 to 7.506

refractive index :

1.53000 - 1.53900 @ 20.00 °C.

melting point :

-28.00 °C. @ 760.00 mm Hg

boiling point :

186.00 - 189.00 °C. @ 760.00 mm Hg

logp :

3.71

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

145.00 °F. TCC ( 62.78 °C. )

recommendation for para-alpha-dimethyl styrene usage levels up to :

0.1000 % in the fragrance concentrate.

recommendation for para-alpha-dimethyl styrene usage levels up to :

2.5000 ppm in the flavor.

safety links :

(EINECS) number :

chemidplus :

epa-srs :

dtp/nci :

other :

references :

pubchem :

203683

NIST Chemistry WebBook :

1608424975

reference :

Mosciano, Gerard P&F 21, No. 1, 33, (1996)³

synonyms :
para-	cymenene
	dehydro para-cymene
	dehydro-para-cymene
para-,alpha-	dimethyl styrene
para-alpha-	dimethyl styrene
4-	methyl isopropenyl benzene
2-(para-	methyl phenyl) propene
1-	methyl-4-(1-methyl ethenyl) benzene
1-	methyl-4-isopropenyl benzene
4-	methyl-alpha-methyl styrene
	methyl-para-isopropenyl benzene
alpha-	methyl-para-methyl styrene
para-iso	propenyl toluene
2-para-	tolyl propene
soluble in :
	alcohol
	mineral oil
	paraffin oil
insoluble in :
	water
(odor and/or flavor) used in :
	almond bitter almond
	citrus
	coffee
	lemon
	lime
	nutmeg
	parsley
	peach
	pepper
	pine
	vanilla
natural occurrence in :
	anise
data page	bay leaf oil @ 0.00-0.30%
data page	cajuput oil vietnam @ 0.2%
data page	cascarilla bark oil @ 0.16%
data page	champaca concrete @ 0.46%
data page	cistus oil @ 1.0%
	coffee
data page	crithmum maritimum l. oil turkey @ <0.10%
data page	curry fruit oil india @ <0.05%
data page	curry leaf oil india @ <0.05%
data page	cypress cone oil egypt @ 0.6%
data page	dill weed oil cuba @ 0.18%
data page	eucalyptus citriodora oil @ 0.08%
data page	eucalyptus globulus maidenii f. muell oil @ 0.12%
data page	eucalyptus globulus oil rwanda @ 0.05%
data page	eucalyptus globulus pseudoglobulus oil @ 0.09%
data page	featherfew leaf oil @ trace%
	hemp
data page	hyptis suaveolens (l.) poit. oil mali @ 0.10-0.40%
data page	juniper branch oil @ 0.15%
data page	laurel leaf oil turkey @ <0.10%
data page	lavender oil france @ trace%
data page	layana oil kenya @ trace%
data page	lime oil distilled peru @ 0.16%
data page	mangrove bark red oil cuba @ 0.10%
data page	mastic oil @ 0.05%
data page	mentha longifolia (l.) huds. oil jordan @ trace%
data page	oregano oil mexico @ 0.08%
	parsley
data page	parsley leaf oil @ 0.04%
data page	parsley leaf oil cuba @ 0.28%
data page	parsley leaf oil egypt @ 5.35%
data page	parsley seed oil @ 0.28%
	pepper
data page	petitgrain grapefruit oil @ trace%
data page	petitgrain lime oil @ trace%
data page	petitgrain oil @ trace%
data page	plectranthus glandulosus hook f. leaf oil cameroon @ 0.20%
data page	sage oil england @ 0.10%
data page	sage oil spain @ 0.0-0.4%
data page	santolina oil @ 2.14%
data page	satureja viminea l. oil costa rica @ trace%
data page	tagete oil CO2 extract @ 0.22%
data page	tansy flower oil canada @ 0.10%
data page	tea tree oil australia @ 0.17%
data page	tsauri grass oil @ 0.80%
data page	wormwood oil cuba @ 0.06%

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