decanal dimethyl acetal
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IUPAC name :1,1-dimethoxydecane
InChI :InChI=1/C12H26O2/c1-4-5-6-7-8-9-10-11-12(13-2)14-3/h12H,4-11H2,1-3H3
InChIKey :NCRNCSZWOOYBQF-UHFFFAOYAD
SMILES :CCCCCCCCCC(OC)OC
cas number :7779-41-1
(EINECS) number :231-928-6
beilstein number :4242149
fema number :2363
coe number :43
jecfa number :945
fl. number :06.009
molar refractivity :61.09 ± 0.3 cm3
parachor :546.2 ± 4.0 cm3
index of refraction :1.423 ± 0.02
surface tension :26.9 ± 3.0 dyne/cm
density :0.844 ± 0.06 g/cm3
polarizability :24.21 ± 0.5 10-24cm3
XlogP : 4.80
molecular weight : 202.3336400 (IUPAC)
formula :C12 H26 O2
NMR Predictor :Predict
 
 
export tariff code :2911.00.5000
fda reg :172.515

Suppliers :
Bedoukian Research :DECANAL DIMETHYL ACETAL
≥98.0%, Kosher
Odor:  A waxy, floral odor which develops slowly
Specific fragrance uses include rose, neroli, bergamot and tuberose compositions.
Flavor:  sweet orange
Has a sweet taste with orange undertones and finds use in citrus, grape and tea and brandy flavors.
Frutarom :DECANAL DIMETHYL ACETAL
≥98.00%, Kosher
Odor:  Citrus, Floral, Herbaceous.
Suggested Uses: Alcoholic Beverages, Bakery, Citrus Fruits, Dairy Products, Tropical Fruits
Inoue :DECANAL DIMETHYL ACETAL
Penta :decanal dimethyl acetal
SAFC Global® :Decanal dimethyl acetal
≥98%, Kosher
Odor:  citrus; floral; wine-like; herbaceous.

organoleptics :
odor type :herbal
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  
herbal citrus green neroli
odor sample from :Nickstadt Moeller, Inc.

properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.83000 to 0.85200 @ 25.00 °C.
pounds per gallon - calc. : 6.906 to 7.089
refractive index :1.42000 to 1.43000 @ 20.00 °C.
boiling point : 218.00 °C. @ 760.00 mm Hg
boiling point : 77.00 to 79.00 °C. @ 1.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.02000 mm/Hg @ 20.00 °C.
vapor density :>1 ( Air = 1 )
flash point : 199.00  °F.  TCC  ( 92.78 °C. )
logP (o/w) : 4.33

safety :
most important hazard(s) :Xi N - Irritant, Dangerous for the environment.
  R 36/38 - Irritating to skin and eyes.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
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.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
Human experience : 4 % solution: no irritation or sensitization.
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 :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.024 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.00 (μg/capita/day)
Structure Class :I
 
recommendation for decanal dimethyl acetal fragrance usage levels up to :
  3.0000 % in the fragrance concentrate.
recommendation for decanal dimethyl acetal flavor usage levels up to :
  8.0000 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
 
 
 
 
1,1-dimethoxydecane
(EINECS) number :231-928-6
RTECS :HD6200000 for cas# 7779-41-1
chemidplus :007779411
EPA Substance Registry Services :7779-41-1
dtp/nci :46132

references :
 
1,1-dimethoxydecane
fl. number :06.009
jecfa number :945
NIST Chemistry WebBook :64374663
pubchem :167023

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 :
 aldehyde C-10 dimethyl acetal
 capraldehyde dimethyl acetal
 decyl aldehyde dimethyl acetal
1,1-dimethoxydecane

Similar Products:    note
 acetaldehyde dimethyl acetal
 acetyl acetaldehyde dimethyl acetal
alpha-amyl cinnamaldehyde dimethyl acetal
para-anisaldehyde dimethyl acetal
 butyraldehyde dimethyl acetal
 cinnamaldehyde dimethyl acetal
 citral dimethyl acetal
 citronellal dimethyl acetal
 citronellyl oxyacetaldehyde dimethyl acetal
 cyclamen aldehyde 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
 water, very slightly

insoluble in :
 water

stability :
 alkalis
 ammonia

potential blenders :    note
6-acetoxydihydrotheaspiraneFL/FR
alpha-amyl cinnamyl formateFL/FR
 basil absolute sweetFL/FR
 bigarade oxideFR
isobutyl angelateFL/FR
isobutyl quinolineFR
 cajuput oil vietnamFL/FR
 calamus rhizome oilFR
alpha-campholenic aldehydeFL/FR
 chamomile oilFL/FR
 citral diethyl acetalFL/FR
 citronellalFL/FR
(S)-(-)-citronellalFL/FR
 citronellyl butyrateFL/FR
 citronellyl nitrileFR
 citronellyl oxyacetaldehydeFL/FR
 coriander leaf oilFL/FR
(-)-cubenol 
isocyclogeraniolFR
 cyclohexyl anthranilateFL/FR
(E,E,Z)-2,4,7-decatrien-1-alFL
2,4,7-decatrien-1-alFL
9-decen-1-alFL/FR
 dihydrocitronellyl ethyl etherFR
 dill weed oilFL/FR
 dill weed oil cubaFL/FR
 dill weed oil reunionFL/FR
 dimethyl benzyl carbinyl formateFL/FR
2,4-dimethyl-3-cyclohexene-1-methanolFR
 ethyl laurateFL/FR
 farneseneFL/FR
 geranyl anthranilateFR
 green carboxylateFR
 green hexanalFL/FR
 heptanolFL/FR
 heptyl formateFL/FR
 herbal cyclohexaneFR
 herbal heptaneFR
 hexadecanolFL/FR
(Z)-3-hexen-1-yl oxyacetaldehydeFR
 hexyl hexanoateFL/FR
 hop absoluteFL/FR
 hop oilFL/FR
 ivy carbaldehydeFL/FR
2,4-ivy carbaldehydeFL/FR
3,5-ivy carbaldehydeFL/FR
3,6-ivy carbaldehydeFL/FR
 jambu oleoresinFL
(Z)-linalool oxide (pyranoid)FL/FR
 linalyl acetateFL/FR
dextro-linalyl acetateFL/FR
laevo-linalyl acetateFL/FR
 linalyl formateFL/FR
 linalyl octanoateFL/FR
 mandarine undecenalFL/FR
 melon heptenal propylene glycol acetalFL/FR
 methyl acetoacetateFL
 methyl heptanoateFL/FR
 methyl heptenoneFL/FR
alpha-methylene citronellalFR
beta-naphthyl anthranilateFL/FR
beta-naphthyl methyl ketoneFL/FR
 nerolFL/FR
 nerolidolFL/FR
 nerolidyl acetateFL/FR
 neryl formateFL/FR
(E,E)-2,6-nonadien-1-alFL/FR
 nonanal dimethyl acetalFL/FR
 octanal diethyl acetalFL/FR
(E)-2-octen-1-olFL/FR
 petitgrain heptaneFR
isophytolFL/FR
isopropyl anthranilateFL/FR
 saffron pyranoneFR
 tangerine acetateFR
 tetrahydromyrcenyl acetateFR
 theaspiraneFL/FR
 treemoss absoluteFR
 tricyclodecyl acetateFR
 undecanalFL/FR
(Z)-8-undecen-1-alFR
 verbena absolute franceFL
 wormwood oilFL/FR

potential uses :
 aldehydic
 bergamot
 gardenia
 green
 neroli
 rose
 tea
 tuberose tubereuse

natural occurrence in :    note
 not found in nature  

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