homocuminic aldehyde
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IUPAC name :2-(3-propan-2-ylphenyl)acetaldehyde
InChI :InChI=1/C11H14O/c1-9(2)11-5-3-4-10(8-11)6-7-12/h3-5,7-9H,6H2,1-2H3
InChIKey :PLBFBQRBPDVZMR-UHFFFAOYAZ
SMILES :CC(C)C1=CC=CC(=C1)CC=O
cas number :1335-44-0
(EINECS) number :215-634-5
molar refractivity :50.17 ± 0.3 cm3
parachor :407.7 ± 4.0 cm3
index of refraction :1.503 ± 0.02
surface tension :33.3 ± 3.0 dyne/cm
density :0.956 ± 0.06 g/cm3
polarizability :19.89 ± 0.5 10-24cm3
XlogP : 3.30
molecular weight : 162.2282600
formula :C11 H14 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :
odor type :green
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :¹
at 10.00 % in dipropylene glycol.  
green sap foliage wood privet
odor sample from :International Flavors & Fragrances Inc.

properties :
appearence :colorless to pale yellow clear viscous liquid
assay : 55.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.98000 to 0.98500 @ 25.00 °C.
pounds per gallon - calc. : 8.155 to 8.196
specific gravity :0.98100 to 0.98600 @ 20.00 °C.
pounds per gallon - calc. : 8.172 to 8.214
refractive index :1.52000 to 1.52400 @ 20.00 °C.
boiling point : 241.00 to 242.00 °C. @ 760.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 3.12

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) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for homocuminic aldehyde usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for homocuminic aldehyde 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
 
 
 
 2-(3-propan-2-ylphenyl)acetaldehyde
(EINECS) number :215-634-5
chemidplus :001335440
EPA Substance Registry Services :1335-44-0

references :
 2-(3-propan-2-ylphenyl)acetaldehyde
pubchem :216243

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1990)¹
CosIng :cosmetic data
synonyms :
 cumenyl acetaldehyde
meta-cymene-7-carboxaldehyde
ar-(1-methyl ethyl) benzene acetaldehyde
2-(3-propan-2-yl phenyl) acetaldehyde
2-(3-propan-2-ylphenyl)acetaldehyde
ar-isopropyl phenyl acetaldehyde

soluble in :
 alcohol
 water, slightly

insoluble in :
 water

(odor and/or flavor) blends with :
 allyl nonanoate
isoamyl 3-(2-furan) propionate
 amyl benzoate
 anisyl propanal / methyl anthranilate schiff's base
 benzyl methyl ether
isobutyl benzyl carbinol
alpha-butyl cinnamaldehyde
isobutyl heptanoate
isobutyl methyl ketone
2-isobutyl thiazole
2-sec-butyl thiazole
4-butyl thiazole
 chrysanthemum oxide
 cinnamyl formate
 citral dimethyl acetal
 citronellyl acetate
 citronellyl propionate
 clary sage absolute
 cumin acetaldehyde
 cumin carbinol
 cuminaldehyde
 cuminyl acetaldehyde
 decanal propylene glycol acetal
3-decanone
(E)-4-decen-1-al
2-decen-1-al
 dihydrorose oxide
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl butyrate
2,4-dimethyl cyclohexyl methyl acetate
 dimethyl succinate
6,8-dimethyl-2-nonanol
 earthy acetal
 ethyl 2-benzyl butyrate
 ethyl 4-pentenoate
 ethyl methyl-para-tolyl glycidate
2-ethyl octine carbonate
 farnesyl acetate
 floral butanal
 galbanum resinoid
 gardenia absolute
 geranium oil
 geranium oil africa
 geranium oil egypt
 geranyl acetone
 geranyl isobutyrate
 grapefruit pentanol
 heptanal
 heptanal dimethyl acetal
 heptyl hexanoate
 heptyl phenyl acetate
 herbal cyclohexane
 herbal dioxane
(E,E)-2,4-hexadien-1-ol
3-hexen-1-al
(E)-4-hexen-1-ol
(Z)-3-hexen-1-ol
(Z)-4-hexen-1-ol
3-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl isobutyrate
(Z)-3-hexen-1-yl salicylate
 hexyl benzoate
alpha-hexyl cinnamaldehyde
alpha-hexyl cinnamaldehyde dimethyl acetal
 hexyl heptanoate
 hexyl phenyl acetate
 hyacinth absolute
 hyacinth butanal
 hydroxycitronellal diethyl acetal
 ivy carbaldehyde
2,4-ivy carbaldehyde
3,5-ivy carbaldehyde
3,6-ivy carbaldehyde
 ivy carbaldehyde / methyl anthranilate schiff's base
 ivy dioxolane
 ivy leaf absolute
 jasmin cyclopentanol
 leafy oxime
 linalyl formate
 marine hexane
 methyl 2-undecynoate
 methyl cyclocitrone
para-methyl hydratropaldehyde
 methyl octine carbonate
(E)-6-methyl-3-hepten-2-one
4-methyl-4-phenyl pentanone
5-methyl-5-hexen-2-one
 mimosa absolute
 muguet undecadienal
 narcissus absolute
 neroli oil
 nerolidol
 nonisyl formate
2-nonyn-1-al dimethyl acetal
 ocean propanal / methyl anthranilate schiff's base
 octanal dimethyl acetal
(E)-2-octen-1-al
3-octen-1-yl acetate
 octyl oxyacetaldehyde
 orange leaf absolute
 orangeflower absolute
 papaya isobutyrate
 peach pivalate
2-pentyl cyclopentanone
 perillaldehyde
 phenethyl acetal
 phenethyl cinnamate
 phenethyl isopropyl ether
 phenoxyacetaldehyde 50% in benzyl alcohol
 phenyl acetaldehyde
 phenyl acetaldehyde diisobutyl acetal
 phenyl acetaldehyde dimethyl acetal
3-phenyl propionaldehyde
2-phenyl propionaldehyde ethylene glycol acetal
(R)-2-phenyl propyl alcohol
4-phenyl-2-butanol
 privet dioxane
 propyl cinnamate
isopropyl phenyl acetate
isopropyl quinoline
2-propyl thiazole
 rose butanoate
laevo-rose oxide
 rose pyran
 seaweed absolute
 styralyl formate
 terpinyl isobutyrate
 tetrahydrofurfuryl cinnamate
 timber dioxolane
 tricyclodecenyl acetate
 tropical indene
2-undecanol
 viridiflorol

(odor and/or flavor) used in :
 foliage
 green

natural occurrence in :
not found in nature



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