alpha-amyl cinnamaldehyde dimethyl acetal
Suppliers  organoleptics  properties  safety  references  cosmetics    FEMA Index    Home Page
Notes :
Fixer in jasmin.
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :2-(dimethoxymethyl)hept-1-enylbenzene
InChI :InChI=1/C16H24O2/c1-4-5-7-12-15(16(17-2)18-3)13-14-10-8-6-9-11-14/h6,8-11,13,16H,4-5,7,12H2,1-3H3
InChIKey :QCHZKUPVENJLAW-UHFFFAOYAI
SMILES :CCCCCC(=CC1=CC=CC=C1)C(OC)OC
cas number :91-87-2
(EINECS) number :202-104-3
fema number :2062
coe number :47
jecfa number :681
fl. number :06.013
molar refractivity :77.86 ± 0.3 cm3
parachor :621.6 ± 4.0 cm3
index of refraction :1.513 ± 0.02
surface tension :33.2 ± 3.0 dyne/cm
density :0.959 ± 0.06 g/cm3
polarizability :30.86 ± 0.5 10-24cm3
XlogP : 4.40
XlogP3-AA : 4.90
molecular weight : 248.3605600 (IUPAC)
formula :C16 H24 O2
NMR Predictor :Predict
 
 
IUPAC name :[(E)-2-(dimethoxymethyl)hept-1-enyl]benzene
InChI :InChI=1/C16H24O2/c1-4-5-7-12-15(16(17-2)18-3)13-14-10-8-6-9-11-14/h6,8-11,13,16H,4-5,7,12H2,1-3H3/b15-13+
InChIKey :QCHZKUPVENJLAW-FYWRMAATBQ
SMILES :CCCCC/C(=C\C1=CC=CC=C1)/C(OC)OC
cas number :91-87-2  (E)
molar refractivity :77.86 ± 0.3 cm3
parachor :621.6 ± 4.0 cm3
index of refraction :1.513 ± 0.02
surface tension :33.2 ± 3.0 dyne/cm
density :0.959 ± 0.06 g/cm3
polarizability :30.86 ± 0.5 10-24cm3
XlogP : 4.40
XlogP3-AA : 4.90
molecular weight : 248.3605600 (IUPAC)
formula :C16 H24 O2
NMR Predictor :Predict
 
 
IUPAC name :[(Z)-2-(dimethoxymethyl)hept-1-enyl]benzene
InChI :InChI=1/C16H24O2/c1-4-5-7-12-15(16(17-2)18-3)13-14-10-8-6-9-11-14/h6,8-11,13,16H,4-5,7,12H2,1-3H3/b15-13-
InChIKey :QCHZKUPVENJLAW-SQFISAMPBH
SMILES :CCCCC/C(=C/C1=CC=CC=C1)/C(OC)OC
cas number :91-87-2  (Z)
molar refractivity :77.86 ± 0.3 cm3
parachor :621.6 ± 4.0 cm3
index of refraction :1.513 ± 0.02
surface tension :33.2 ± 3.0 dyne/cm
density :0.959 ± 0.06 g/cm3
polarizability :30.86 ± 0.5 10-24cm3
XlogP : 4.40
XlogP3-AA : 4.90
molecular weight : 248.3605600 (IUPAC)
formula :C16 H24 O2
NMR Predictor :Predict
 
 
export tariff code :2911.00.5000
fda reg :172.515
Suppliers :
Berje :Amyl Cinnamic Aldehyde Dimethyl Acetal
Inoue :2-AMYL CINNAMALDEHYDE DIMETHYL ACETATE
Nanjing :benzene,[2-(dimethoxymethyl)-1-heptenyl]-
orders in chinese.
Penta :alpha-amyl cinnamaldehyde dimethyl acetal
SAFC Global® :a-Amylcinnamaldehyde dimethyl acetal
97%, mixture of isomers
Odor:  jasmine; lemon; lily; green
organoleptics :
odor type :floral
odor strength :medium
odor description:
at 100.00 %.  		bland jasmin lily green lemon
Luebke, William tgsc, (1989)
odor sample from :International Flavors & Fragrances Inc.
substantivity :16  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 97.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.95300 to 0.96300 @ 25.00 °C.
pounds per gallon - calc. : 7.930 to 8.013
specific gravity :0.95400 to 0.96400 @ 20.00 °C.
pounds per gallon - calc. : 7.947 to 8.031
refractive index :1.50800 to 1.51300 @ 20.00 °C.
boiling point : 300.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 198.00  °F.  TCC  ( 92.22 °C. )
logP (o/w) : 5.37
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 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Human experience : 8 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 711, 1975.

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 711, 1975.

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.007 (μg/capita/day)
Structure Class :II
 
recommendation for alpha-amyl cinnamaldehyde dimethyl acetal fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for alpha-amyl cinnamaldehyde dimethyl acetal flavor usage levels up to :
  2.0000 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
 
 
 
 
2-(dimethoxymethyl)hept-1-enylbenzene
(EINECS) number :202-104-3
RTECS :GD6837500 for cas# 91-87-2
chemidplus :91-87-2
EPA Substance Registry Services :91-87-2
 
[(E)-2-(dimethoxymethyl)hept-1-enyl]benzene
 
[(Z)-2-(dimethoxymethyl)hept-1-enyl]benzene
references :
 
2-(dimethoxymethyl)hept-1-enylbenzene
fl. number :06.013
jecfa number :681
pubchem :43119464
 
[(E)-2-(dimethoxymethyl)hept-1-enyl]benzene
pubchem :203619
 
[(Z)-2-(dimethoxymethyl)hept-1-enyl]benzene
pubchem :40870501
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
alpha-N-amyl cinnamal dimethyl acetal
alpha-amyl cinnamic aldehyde dimethyl acetal
alpha-N-amyl-beta-phenyl acrolein dimethyl acetal
1,1-dimethoxy-2-amyl-3-phenyl-2-propene
1,1-dimethoxy-2-benzylidene heptane
(2-(dimethoxymethyl)-1-heptenyl) benzene
2-(dimethoxymethyl)-1-phenyl-1-heptene
2-(dimethoxymethyl)hept-1-enylbenzene
alpha-pentyl cinnamaldehyde dimethyl acetal
Similar Products:    note
 acetaldehyde dimethyl acetal
 acetyl acetaldehyde dimethyl acetal
para-anisaldehyde dimethyl acetal
 benzaldehyde dimethyl acetal
 butyraldehyde dimethyl acetal
 cinnamaldehyde dimethyl acetal
 citral dimethyl acetal
 citronellal dimethyl acetal
 citronellyl oxyacetaldehyde dimethyl acetal
 cyclamen aldehyde dimethyl acetal
 decanal dimethyl acetal
 dodecanal dimethyl acetal
2-ethyl hexanal dimethyl acetal
 heliotropyl dimethyl acetal
 heptanal dimethyl acetal
 hexanal dimethyl acetal
(Z)-3-hexen-1-al dimethyl acetal
(E)-2-hexen-1-al dimethyl acetal
 hexoxyacetaldehyde dimethyl acetal
alpha-hexyl cinnamaldehyde dimethyl acetal
 hydroxycitronellal dimethyl acetal
2-methyl undecanal dimethyl acetal
 nonanal dimethyl acetal
isononanal dimethyl acetal
(Z)-6-nonen-1-al dimethyl acetal
2-nonyn-1-al dimethyl acetal
 octanal dimethyl acetal
 phenyl acetaldehyde dimethyl acetal
2-phenyl propionaldehyde dimethyl acetal
3-phenyl propionaldehyde dimethyl acetal
 propionaldehyde dimethyl acetal
 undecanal dimethyl acetal
 valeraldehyde dimethyl acetal
soluble in :
 alcohol
insoluble in :
 water
stability :
 alkalis
 amines
 ammonia
potential blenders :    note
 amyl benzoateFL/FR
alpha-amyl cinnamyl acetateFL/FR
alpha-amyl cinnamyl alcoholFL/FR
 benzyl acetoneFL/FR
 benzyl anthranilateFL/FR
 benzyl phenyl acetateFL/FR
 benzyl propionateFL/FR
 bois de rose oilFL/FR
alpha-butyl cinnamaldehydeFL/FR
 cinnamyl formateFL/FR
 citronellyl acetateFL/FR
 citronellyl ethoxalateFR
 citronellyl oxyacetaldehydeFL/FR
 citronellyl propionateFL/FR
 citrus ocimenolFR
 coranolFR
para-cresyl isobutyrateFL/FR
para-cresyl phenyl acetateFL/FR
para-cresyl propionaldehydeCS
 cubeb oilFL/FR
 cumin carbinolFR
 cyclamen aldehyde / methyl anthranilate schiff's baseFR
 cyclamen homoaldehydeFR
 cyclohexyl ethyl alcoholFL/FR
 cyclohexyl propanolFR
2-decalinolFR
3-decanoneFL/FR
(Z)-4-decen-1-alFL/FR
2-decen-1-alFL/FR
 dihydrolinaloolFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl benzyl carbinyl formateFL/FR
6,8-dimethyl-2-nonanolFR
3,6-dimethyl-3-octanolFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
(E,E)-farnesolFL/FR
 floral butanalFR
 floral pyranolFR
 freesia acetateFR
 gardenia decaloneFR
 geranium oilFL/FR
 geranyl acetoneFL/FR
 geranyl isobutyrateFL/FR
 grapefruit pentanolFR
 hawthorn ethanolFR
(E,E)-2,4-hexadien-1-alFL
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 ho leaf oilFR
 ho wood oilFR
 honeysuckle absoluteFR
 hydroxycitronellalFL/FR
 hydroxycitronellal / methyl anthranilate schiff's baseFR
 hydroxycitronellal diethyl acetalFL/FR
 hydroxycitronellal dimethyl acetalFL/FR
 hydroxycitronellolFL/FR
 ivy dioxolaneFR
 jasimiaFR
 jasmin absoluteFL/FR
 jasmin absolute concrete indiaFL/FR
 jasmin absolute concrete italyFL/FR
 jasmin absolute pommadeFL/FR
 jasmin acetateFL/FR
 jasmin cyclopentanolFR
 jasmin pyranolFR
 jasmin sambac absolute egyptFL/FR
para-jasmoneFR
 jonquil absoluteFR
 leerallFR
 leerall / methyl anthranilate schiff's baseFR
 lily pentanalFR
 lily propanolFR
 lilyallFR
 lilyall / methyl anthranilate schiff's baseFR
 linaloolFL/FR
dextro-linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
 linalyl benzoateFL/FR
 linalyl cinnamateFL/FR
 linalyl propionateFL/FR
 magnolia cyclohexanolFR
 magnolia decadienalFR
 mandarin oil uruguayFL/FR
 methoxycitronellalFR
 methyl dihydrojasmonateFL/FR
para-methyl hydratropaldehydeFL/FR
2-methyl octanalFL/FR
 methyl octine carbonateFL/FR
 mimosa absoluteFL/FR
 muguet butanalFR
 muguet butanolFR
 muguet carbaldehydeFR
 muguet carbinolFL/FR
 muguet carboxaldehydeFR
 muguet ethanolFR
 muguet nitrileFR
 muguet octadienolFR
 muguet propanolFR
 muguet shiseolFL/FR
 muguet undecadienalFR
 myrmac aldehydeFR
 neroli oilFL/FR
 nerolidolFL/FR
 nonanalFL/FR
 octanal dimethyl acetalFL/FR
 octyl phenyl acetateFL/FR
 orange leaf absoluteFL/FR
 ozone propanalFR
 papaya isobutyrateFL/FR
 penten-1-yl cyclopentanoneFR
 phenyl glycol diacetateFR
2-phenyl propionaldehyde ethylene glycol acetalFR
1-phenyl propyl butyrateFL/FR
 rose butanoateFL/FR
 styralyl butyrateFL/FR
 sweet pea absoluteFR
alpha-terpineolFL/FR
alpha-terpinyl anthranilateFL/FR
 tetrahydrolinaloolFL/FR
 tetrahydromyrcenolFR
 tricyclodecenyl acetateFR
 undecanal dimethyl acetalFR
 undecanolFL/FR
 wallflower absoluteFR
 ylang ylang oilFL/FR
potential uses :
 apple
 floral
 green
 jonquil narcissus jonquilla
 natural
 petal flower petal
 wallflower giroflee
natural occurrence in :    note
 not found in nature  

information only - not sold by The Good Scents Company.


Please share your Information / Comments.

Your email Address:


Top of Page          The Good Scents Company Home
Copyright © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 03/10/2010