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
cas number :1195-32-0
(EINECS) number :214-795-9
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
NMR Predictor :Predict
 
 
export tariff code :2902.90.9500
fda reg :unspecified
Suppliers :
Bedoukian Research :DEHYDRO PARA CYMENE
≥94.0%, Kosher
Odor:  In dilution is citrus and pine-like.
Penta :p,alpha-dimethylstyrene
Sigma-Aldrich-SAFC :p,a-Dimethylstyrene
≥98%
Treatt :alpha-, para-Dimethylstyrene
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
properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.89400 to 0.90200 @ 25.00 °C.
pounds per gallon - calc. : 7.439 to 7.506
refractive index :1.53000 to 1.53900 @ 20.00 °C.
melting point : -28.00 °C. @ 760.00 mm Hg
boiling point : 186.00 to 189.00 °C. @ 760.00 mm Hg
vapor pressure :1.80000 mm/Hg @ 20.00 °C.
flash point : 145.00  °F.  TCC  ( 62.78 °C. )
logP (o/w) : 3.99
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :18.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.30 (μg/capita/day)
 
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 references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 1-methyl-4-prop-1-en-2-ylbenzene
(EINECS) number :214-795-9
chemidplus :001195320
EPA Substance Registry Services :1195-32-0
dtp/nci :361058
references :
 1-methyl-4-prop-1-en-2-ylbenzene
fl. number :01.010
jecfa number :1333
NIST Chemistry WebBook :1608424975
pubchem :203683
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
para-cymenene
 dehydro para-cymene
 dehydro-para-cymene
para-,alpha-dimethyl styrene
para-,alpha-dimethylstyrene
4-methyl isopropenyl benzene
2-(para-methyl phenyl) propene
1-methyl-4-(1-methyl ethenyl) benzene
1-methyl-4-isopropenyl benzene
1-methyl-4-prop-1-en-2-ylbenzene
4-methyl-alpha-methyl styrene
 methyl-para-isopropenyl benzene
alpha-methyl-para-methyl styrene
para-isopropenyl toluene
2-para-tolyl propene
soluble in :
 alcohol
 mineral oil
 paraffin oil
insoluble in :
 water
(odor and/or flavor) blends with :
 allspice oil
 allspice oleoresin
 anisole
 bay leaf oil
 bay leaf oil terpeneless
 benzoin absolute sumatra
 benzoin resin sumatra
 benzoin resinoid sumatra
 benzyl alcohol
 benzyl isoeugenol
 betel leaf oil
alpha-bisabolene
 calamus leaf oil
 caryophyllene
beta-caryophyllene
 cassie absolute
 cinnamic acid
 cinnamon leaf oil
 cinnamyl acetate
(E)-cinnamyl acetate
 cinnamyl benzoate
 clove bud absolute
 clove bud oil
 clove bud oleoresin
 clove leaf oil
 clove leaf oil terpeneless
 clove stem oil
 copaiba balsam oil
 dihydroeugenol
2,4-dihydroxybenzoic acid
2,6-dimethoxy-4-vinyl phenol
1,2-dimethoxybenzene
 dimethyl anthranilate
2,3-dimethyl benzofuran
2,6-dimethyl thiophenol
 diphenyl oxide
2-ethoxythiazole
4-ethyl guaiacol
para-ethyl phenol
 ethyl salicylate
 eugenol
isoeugenol
 eugenyl benzoate
isoeugenyl phenyl acetate
 frankincense absolute
 furfural acetone
 galangal root oleoresin
 guaiacol
 guaiacyl acetate
2'-hydroxyacetophenone
4-hydroxybenzoic acid
 mace oil CO2 extract
 mate absolute
2'-methoxyacetophenone
 methyl benzoate
3-methyl crotonic acid
 methyl eugenol
4-methyl guaiacol
 methyl isoeugenol
4-methyl salicylaldehyde
4-methyl-2,6-dimethoxyphenol
 myrrh resinoid
 nutmeg absolute
 nutmeg extract co2 west indian
 nutty cyclohexenone
 oakmoss concrete
 opoponax oil
 opoponax resinoid
3-penten-2-one
 phenethyl propionate
2-phenoxyethyl formate
3-phenyl propionaldehyde
3-phenyl propyl acetate
 phenyl pyruvic acid
 pimenta leaf oil
 pimento berry oil
 piperitenone
2-propyl phenol
4-propyl phenol
 pyroligneous acids
 sea resorcylate
 seaweed absolute
 spicy acetoacetate
 thioguaiacol
beta-thujaplicin
 tolu balsam oil
meta-tolyl aldehyde
para-tolyl aldehyde
 tonka undecanone
 tyramine
 vanillyl alcohol
 vanillyl ethyl ether
 verymoss
4-vinyl phenol
 woody octene
2,3-xylenol
2,5-xylenol
2,6-xylenol
 zingerone
(odor and/or flavor) used in :
 almond bitter almond
 citrus
 coffee
 lemon
 lime
 nutmeg
 parsley
 peach
 pepper
 pine
 vanilla
natural occurrence in :
anise
data pagebay leaf oil @ 0.00-0.30%
data pagecajuput oil vietnam @ 0.2%
data pagecascarilla bark oil @ 0.16%
data pagechampaca concrete @ 0.46%
data pagecistus oil @ 1.0%
coffee
data pagecrithmum maritimum l. oil turkey @ <0.10%
data pagecurry fruit oil india @ <0.05%
data pagecurry leaf oil india @ <0.05%
data pagecypress cone oil egypt @ 0.6%
data pagedill weed oil cuba @ 0.18%
data pageeucalyptus citriodora oil @ 0.08%
data pageeucalyptus globulus maidenii f. muell oil @ 0.12%
data pageeucalyptus globulus oil rwanda @ 0.05%
data pageeucalyptus globulus pseudoglobulus oil @ 0.09%
data pagefeatherfew leaf oil @ trace%
hemp
data pagehyptis suaveolens (l.) poit. oil mali @ 0.10-0.40%
data pagejuniper branch oil @ 0.15%
data pagelaurel leaf oil turkey @ <0.10%
data pagelavender oil france @ trace%
data pagelayana oil kenya @ trace%
data pagelime oil distilled peru @ 0.16%
data pagemangrove bark red oil cuba @ 0.10%
data pagemastic oil @ 0.05%
data pagementha longifolia (l.) huds. oil jordan @ trace%
data pageoregano oil mexico @ 0.08%
parsley
data pageparsley leaf oil @ 0.04%
data pageparsley leaf oil cuba @ 0.28%
data pageparsley leaf oil egypt @ 5.35%
data pageparsley seed oil @ 0.28%
pepper
data pagepetitgrain grapefruit oil @ trace%
data pagepetitgrain lime oil @ trace%
data pagepetitgrain oil @ trace%
data pageplectranthus glandulosus hook f. leaf oil cameroon @ 0.20%
data pagesage oil england @ 0.10%
data pagesage oil spain @ 0.0-0.4%
data pagesantolina oil @ 2.14%
data pagesatureja viminea l. oil costa rica @ trace%
data pagetagete oil CO2 extract @ 0.22%
data pagetansy flower oil canada @ 0.10%
data pagetea tree oil australia @ 0.17%
data pagetsauri grass oil @ 0.80%
data pagewormwood oil cuba @ 0.06%



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