isopropyl phenyl propionaldehyde 34291-99-1

isopropyl phenyl propionaldehyde

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IUPAC name :

2-(4-propan-2-ylphenyl)propanal

InChI :

InChI=1/C12H16O/c1-9(2)11-4-6-12(7-5-11)10(3)8-13/h4-10H,1-3H3

InChIKey :

IZQUWQPXCQLTJY-UHFFFAOYAV

SMILES :

CC(C)C1=CC=C(C=C1)C(C)C=O

cas number :	34291-99-1
(EINECS) number :	251-920-6
molar refractivity :	54.80 ± 0.3 cm3
parachor :	446.2 ± 4.0 cm3
index of refraction :	1.498 ± 0.02
surface tension :	32.4 ± 3.0 dyne/cm
density :	0.943 ± 0.06 g/cm3
polarizability :	21.72 ± 0.5 10-24cm3
XlogP :	3.50
molecular weight :	176.2548400
formula :	C12 H16 O
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Penta :

p-isopropyl hydratropic aldehyde

organoleptics :

odor type :

green

odor strength :

medium ,
recommend smelling in a 1.00 % solution or less

odor description :
at 1.00 % in dipropylene glycol.

green leaf aldehydic fresh

properties :

appearence :

pale yellow clear liquid

assay :

33.00 to 45.00 %

Food Chemicals Codex Listed :

specific gravity :

0.96400 to 0.97200 @ 25.00 °C.

pounds per gallon - calc. :

8.021 to 8.088

specific gravity :

0.96500 to 0.97300 @ 20.00 °C.

pounds per gallon - calc. :

8.039 to 8.106

refractive index :

1.51300 to 1.51800 @ 20.00 °C.

boiling point :

252.00 to 253.00 °C. @ 760.00 mm Hg

flash point :

> 212.00 °F. TCC ( > 100.00 °C. )

logP (o/w) :

3.47

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for isopropyl phenyl propionaldehyde usage levels up to :

2.0000 % in the fragrance concentrate.

recommendation for isopropyl phenyl propionaldehyde usage levels up to :

not for flavor use.

safety references :

EPI System :

view

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

2-(4-propan-2-ylphenyl)propanal

(EINECS) number :

251-920-6

chemidplus :

034291991

EPA Substance Registry Services :

34291-99-1

references :

2-(4-propan-2-ylphenyl)propanal

pubchem :

694858

Cosmetics :

Cosmetic uses :

perfuming agents

other :

CosIng :

cosmetic data

synonyms :
alpha-	methyl-4-(1-methyl ethyl) benzene acetaldehyde
2-(4-	propan-2-yl phenyl) propanal
2-(4-	propan-2-ylphenyl)propanal
para-iso	propyl hydratropaldehyde
para-iso	propyl hydratropic aldehyde
para-iso	propyl phenyl propionaldehyde
2-(4-iso	propyl phenyl) propionaldehyde
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
	acetaldehyde butyl phenethyl acetal
	acetaldehyde di-(Z)-3-hexen-1-yl acetal
	acetaldehyde ethyl phenethyl acetal
	allyl anthranilate
	basil absolute sweet
	coriander leaf oil
	cumin acetaldehyde
iso	cyclocitral
neo	cyclocitral
	diphenyl oxide
	galbanum oil terpeneless
	galbanum oleoresin
	geranium absolute
	green carbaldehyde
	heptyl cinnamate
	herbal heptane
(E)-2-	hexen-1-al
2-	hexen-1-al
3-	hexen-1-al
(E)-2-	hexen-1-ol
(Z)-2-	hexen-1-ol
2-	hexen-1-ol
3-	hexen-1-ol
(E)-2-	hexen-1-yl acetate
(Z)-3-	hexen-1-yl benzoate
(Z)-3-	hexen-1-yl lactate
(Z)-3-	hexen-1-yl methyl carbonate
	hexoxyacetaldehyde dimethyl acetal
	hexyl heptanoate
2,4-	ivy carbaldehyde / methyl anthranilate schiff's base
	leaf acetal
	leafy acetal
	leafy oxime
	methyl heptine carbonate
3-	methyl-3-pentanol
(E,Z)-2,6-	nonadien-1-yl acetate
	octanal dimethyl acetal
(E)-2-	octen-1-al
(Z)-2-	octen-1-al
(Z)-5-	octen-1-yl propionate
	petitgrain combava oil
3-	phenyl propionaldehyde
iso	pulegyl formate
	rose leaf absolute
	rosemary oleoresin
	styralyl acetate
	tetrahydrocitral
(odor and/or flavor) used in :
	aldehydic
	leaf green leaf
natural occurrence in :
	not found in nature

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