alpha-amyl cinnamaldehyde diethyl acetal
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IUPAC name :2-(diethoxymethyl)hept-1-enylbenzene
InChI :InChI=1/C18H28O2/c1-4-7-9-14-17(18(19-5-2)20-6-3)15-16-12-10-8-11-13-16/h8,10-13,15,18H,4-7,9,14H2,1-3H3
InChIKey :MPKOLWUWOADQCX-UHFFFAOYAN
SMILES :CCCCCC(=CC1=CC=CC=C1)C(OCC)OCC
cas number :60763-41-9
(EINECS) number :262-413-4
molar refractivity :87.12 ± 0.3 cm3
parachor :701.1 ± 4.0 cm3
index of refraction :1.508 ± 0.02
surface tension :33.3 ± 3.0 dyne/cm
density :0.947 ± 0.06 g/cm3
polarizability :34.54 ± 0.5 10-24cm3
XlogP : 5.30
XlogP3-AA : 5.60
molecular weight : 276.4137200 (IUPAC)
formula :C18 H28 O2
NMR Predictor :Predict
 
 
export tariff code :2911.00.5000
fda reg :unspecified

Suppliers :
Inoue :2-AMYL CINNAMALDEHYDE DIETHYL ACETAL
Nanjing :benzene,[2-(diethoxymethyl)-1-heptenyl]-
Penta :alpha-amyl cinnamaldehyde diethyl acetal

organoleptics :
odor type :floral
odor strength :medium
odor description :¹
at 100.00 %.  
ethereal jasmin floral aldehyde green fruity
odor sample from :Nickstadt Moeller, Inc.
substantivity :400  Hour(s)

properties :
appearence :pale yellow to yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.93000 to 0.93800 @ 25.00 °C.
pounds per gallon - calc. : 7.739 to 7.805
specific gravity :0.93100 to 0.93900 @ 20.00 °C.
pounds per gallon - calc. : 7.756 to 7.823
refractive index :1.49500 to 1.50000 @ 20.00 °C.
flash point : 162.00  °F.  TCC  ( 72.22 °C. )
logP (o/w) : 6.43

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 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/39 - Wear suitable clothing and eye/face protection.
Human experience : 10 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat    >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 11, Pg. 857, 1973.

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 11, Pg. 857, 1973.

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for alpha-amyl cinnamaldehyde diethyl acetal usage levels up to :
  10.0000 % in the fragrance concentrate.
recommendation for alpha-amyl cinnamaldehyde diethyl acetal 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-(diethoxymethyl)hept-1-enylbenzene
(EINECS) number :262-413-4
chemidplus :060763419
EPA Substance Registry Services :60763-41-9

references :
 2-(diethoxymethyl)hept-1-enylbenzene
pubchem :685863

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1985)¹
CosIng :cosmetic data
synonyms :
 amyl cinnamaldehyde diethyl acetal
alpha-amyl cinnamic aldehyde diethyl acetal
1,1-diethoxy-2-(phenyl methylene) heptane
1,1-diethoxy-2-amyl-3-phenyl-2-propene
1,1-diethoxy-2-N-amyl-3-phenyl acrolein
2-diethoxymethyl-1-phenyl hept-1-ene
(2-(diethoxymethyl)-1-heptenyl) benzene
2-(diethoxymethyl)hept-1-enylbenzene

soluble in :
 alcohol

insoluble in :
 water

stability :
 low to neutral pH

(odor and/or flavor) blends with :
 acetal 318
 acetaldehyde diisoamyl acetal
 acetaldehyde dimethyl acetal
isoamyl 3-(2-furan) propionate
 amyl angelate
isoamyl angelate
 amyl benzoate
alpha-amyl cinnamaldehyde
alpha-amyl cinnamyl acetate
alpha-amyl cinnamyl alcohol
 amyl formate
 amyl heptanoate
 benzyl acetate
 benzyl acetoacetate
 benzyl acetone
 benzyl butyrate
 benzyl cinnamate
 benzyl formate
 benzyl phenyl acetate
 benzyl propionate
alpha-butyl cinnamaldehyde
isobutyl formate
 butyl undecylenate
 chamomile valerate
 cinnamyl formate
 citronellyl acetate
 citronellyl oxyacetaldehyde
 citronellyl propionate
 clary propyl acetate
 cumin carbinol
3-decanone
2-decen-1-al
2,4-difurfuryl furan
 dihydroisojasmonate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
6,8-dimethyl-2-nonanol
(E+Z)-4,8-dimethyl-3,7-nonadien-2-one
 ethyl acetate
2-ethyl butyl acetate
2-ethyl butyraldehyde
 ethyl formate
 ethyl methyl-para-tolyl glycidate
 ethyl pyruvate
 floral butanal
 geraniol
 geranium oil
 geranyl acetone
 geranyl isobutyrate
 grapefruit pentanol
2-heptanol
2-hexen-1-yl cyclopentanyl acetate
(Z)-3-hexen-1-yl salicylate
 hexoxyacetaldehyde dimethyl acetal
alpha-hexyl cinnamaldehyde
2-hexyl-4-acetoxytetrahydrofuran
 honeysuckle absolute
 ivy dioxolane
 jasmin absolute
 jasmin absolute concrete india
 jasmin absolute concrete italy
 jasmin absolute pommade
 jasmin acetate
 jasmin acetoacetate
 jasmin cyclopentanol
 jasmin pyranol
para-jasmone
 jonquil absolute
 magnolia decadienal
 menthadienyl formate
3-mercaptohexyl acetate
 methoxymelonal
 methyl acetate
 methyl benzyl acetate (mixed ortho-,meta-,para-)
 methyl cyclogeranate
 methyl dihydrojasmonate
 methyl ethyl ketone
para-methyl hydratropaldehyde
 methyl octine carbonate
2-methyl valeraldehyde
 mimosa absolute
 muguet undecadienal
 neroli oil
 nerolidol
 octanal dimethyl acetal
 orange leaf absolute
 orange peel oil bitter terpeneless
 papaya isobutyrate
(Z)-2-penten-1-ol
 penten-1-yl cyclopentanone
 petitgrain lemon oil
 phenethyl isobutyrate
 phenethyl isovalerate
2-phenyl propionaldehyde ethylene glycol acetal
1-phenyl propyl butyrate
(Z,E)-phytol
 prenyl acetate
 privet dioxane
isopropyl acetate
 propyl formate
 rhubarb pyran
 rose butanoate
 spicy acetoacetate
 styralyl butyrate
 sweet pea absolute
 tricyclodecenyl acetate
2,5,9-trimethyl-4,9-decadien-1-al
 undecanal
 wallflower absolute

(odor and/or flavor) used in :
 apple
 apple blossom
 elder blossom
 floral
 gardenia
 honeysuckle chevrefeuille
 jasmin
 lilac lilas syringa
 muguet lily of the valley
 strawberry
 topnotes
 tuberose tubereuse
 woody

natural occurrence in :
not found in nature



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