2-propenyl-para-cymene
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IUPAC name :1-methyl-4-propan-2-yl-2-prop-1-enylbenzene
InChI :InChI=1/C13H18/c1-5-6-13-9-12(10(2)3)8-7-11(13)4/h5-10H,1-4H3
InChIKey :IRICXAFZMINCTB-UHFFFAOYAQ
SMILES :CC=CC1=C(C=CC(=C1)C(C)C)C
cas number :14374-92-6
(EINECS) number :238-347-7
beilstein number :2552678
molar refractivity :61.15 ± 0.3 cm3
parachor :462.9 ± 4.0 cm3
index of refraction :1.533 ± 0.02
surface tension :30.6 ± 3.0 dyne/cm
density :0.885 ± 0.06 g/cm3
polarizability :24.24 ± 0.5 10-24cm3
XlogP : 5.30
molecular weight : 174.2820200 (IUPAC)
formula :C13 H18
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Givaudan :Verdoracine
Odor:  Green, Carrot, Galbanum
John D. Walsh :Verdoracine
Penta :4-isopropyl-1-methyl-2-propenylbenzene
Vigon :VERDORACINE
Odor:  GREEN, CARROT-LIKE

organoleptics :
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
green sweet carrot dry earthy

properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 245.00 to 246.00 °C. @ 760.00 mm Hg
vapor pressure :0.04500 mm/Hg @ 25.00 °C.
flash point : 206.00  °F.  TCC  ( 96.67 °C. )
logP (o/w) : 5.02

safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
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) :
  Oral-Rat    >5000.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  5000.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for 2-propenyl-para-cymene usage levels up to :
  3.0000 % in the fragrance concentrate.
recommendation for 2-propenyl-para-cymene usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 1-methyl-4-propan-2-yl-2-prop-1-enylbenzene
(EINECS) number :238-347-7
chemidplus :014374926
EPA Substance Registry Services :14374-92-6

references :
 1-methyl-4-propan-2-yl-2-prop-1-enylbenzene
pubchem :661296

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
synonyms :
1-methyl-4-(1-methyl ethyl)-2-((E)-1-propenyl) benzene
1-methyl-4-(1-methyl ethyl)-2-(1-propenyl) benzene
1-methyl-4-propan-2-yl-2-prop-1-enylbenzene
2-prop-1-enyl-para-cymene
4-isopropyl-1-methyl-2-propenyl benzene
 verdoracine

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 allyl amyl glycolate
 amyl formate
 benzyl disulfide
 bornyl formate
S-sec-butyl thioisovalerate
2-isobutyl-3-methoxypyrazine
2-sec-butyl-3-methoxypyrazine
 caraway seed oil
 carrot seed oil
 carvacryl ethyl ether
 cedrela wood oil
 fern absolute
 galbanum decatriene
 galbanum ketone
 galbanum oxathiane
 galbanum oxyacetate
 geranium absolute
 green pea pyrazine
delta-heptalactone
2-heptyl cyclopentanone
(Z)-3-hexen-1-yl tiglate
6-hydroxydihydrotheaspirane (mixture of isomers)
 juniper berry oil
 leafy oxime
 linalool oxide
2-methoxy-3-propyl pyrazine
1-nonen-3-ol
1-octen-3-ol
 octyl acetate
 octyl isobutyrate
2-pentyl furan
2-phenyl propyl acetate
1-phenyl-2-pentanol
 pineapple heptadienone 10%
isopropyl 3-methyl thiocrotonate
isopropyl thioisovalerate
 propylene glycol acetone ketal
 rhubarb undecane
 sorbyl isobutyrate
 tropical oxathiane
 tropical trithiane
 violet dienyne

(odor and/or flavor) used in :
 citrus
 earth humus
 galbanum
 green
 herbal

natural occurrence in :
not found in nature



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