2-methyl undecanal dimethyl acetal
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IUPAC name :1,1-dimethoxy-2-methylundecane
InChI :InChI=1/C14H30O2/c1-5-6-7-8-9-10-11-12-13(2)14(15-3)16-4/h13-14H,5-12H2,1-4H3
InChIKey :NJXYRZMLVYMJHM-UHFFFAOYAG
SMILES :CCCCCCCCCC(C)C(OC)OC
cas number :68141-17-3
(EINECS) number :268-839-7
molar refractivity :70.31 ± 0.3 cm3
parachor :623.2 ± 4.0 cm3
index of refraction :1.428 ± 0.02
surface tension :27.1 ± 3.0 dyne/cm
density :0.843 ± 0.06 g/cm3
polarizability :27.87 ± 0.5 10-24cm3
XlogP : 5.60
molecular weight : 230.3868000 (IUPAC)
formula :C14 H30 O2
NMR Predictor :Predict
 
 
export tariff code :2911.00.5000
fda reg :unspecified

Suppliers :
Vigon :Aldehyde C-12 MNA Dimethyl Acetal
Odor:  CITRUS, ALDEHYDIC

organoleptics :
odor type :aldehydic
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :¹
at 1.00 % in dipropylene glycol.  
aldehydic amber lemon green waxy
odor sample from :Chem-Fleur, Inc.
substantivity :400  Hour(s)

properties :
appearence :colorless to pale yellow clear liquid
assay : 92.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.84500 to 0.85500 @ 20.00 °C.
pounds per gallon - calc. : 7.039 to 7.123
refractive index :1.42900 to 1.43300 @ 20.00 °C.
boiling point : 260.00 °C. @ 760.00 mm Hg
acid value : 5.00  max.  KOH/g
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 5.21

safety :
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 :
 
recommendation for 2-methyl undecanal dimethyl acetal usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for 2-methyl undecanal dimethyl 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
 
 
 
 1,1-dimethoxy-2-methylundecane
(EINECS) number :268-839-7
chemidplus :068141173
EPA Substance Registry Services :68141-17-3

references :
 1,1-dimethoxy-2-methylundecane
pubchem :686530

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1985)¹
CosIng :cosmetic data
synonyms :
 aldehyde C-12 mna dimethyl acetal
1,1-dimethoxy-2-methyl undecane
1,1-dimethoxy-2-methylundecane
 methyl nonyl acetaldehyde dimethyl acetal
alpha-methyl-alpha-nonyl acetaldehyde dimethyl acetal

soluble in :
 alcohol

insoluble in :
 water

stability :
 alkalis
 amines
 ammonia

(odor and/or flavor) blends with :
 allyl cyclohexyl acetate
isoamyl benzoate
 citral diethyl acetal
 citronellal
 citronellyl butyrate
 cyclohexyl propionate
 decanal diethyl acetal
 decanal dimethyl acetal
(E,E,Z)-2,4,7-decatrien-1-al
2,4,7-decatrien-1-al
9-decenoic acid
 dihydrocitronellyl ethyl ether
 ethyl (E,Z)-2,4-decadienoate
 ethyl 2-octenoate
(Z)-beta-farnesene
1-furfuryl pyrrole
 geranyl acetate
 grape butyrate
 green carboxylate
 green hexanal
3-heptyl dihydro-5-methyl-2(3H)-furanone
 heptyl formate
(Z)-3-hexen-1-yl formate
(E)-2-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl oxyacetaldehyde
 hexyl 2-furoate
 hexyl 2-methyl butyrate
 hexyl octanoate
 hexyl phenyl acetate
 hydroxycitronellal
 hydroxycitronellal dimethyl acetal
 ivy carbaldehyde
2,4-ivy carbaldehyde
3,5-ivy carbaldehyde
3,6-ivy carbaldehyde
 jasmin cyclopentanol
 lily pentanal
(Z)-linalool oxide (pyranoid)
 linalyl acetate
 linalyl formate
 melon heptenal propylene glycol acetal
 melon nonenoate
 methyl acetoacetate
2-methyl butyl 2-methyl butyrate
 methyl butyl phenyl acetate
(E)-methyl geranate
2-methyl heptanoic acid
 methyl heptenone
 methyl octanoate
alpha-methylene citronellal
 nerolidol
 neryl butyrate
(E,E)-2,6-nonadien-1-al
(E,Z)-3,6-nonadien-1-yl acetate
3,6-nonadien-1-yl acetate
 nonanal dimethyl acetal
2-nonanol
(E)-2-nonen-1-ol
(Z)-3-nonen-1-ol
(Z)-6-nonen-1-ol
 octanal diethyl acetal
 octanol
(E)-2-octen-1-al
(E)-2-octen-1-ol
 octyl isobutyrate
 phenethyl octanoate
 phenyl acetaldehyde ethylene glycol acetal
 satinaldehyde
 tangerine acetate
(E)-2-tetradecen-1-al
 undecanal

(odor and/or flavor) used in :
 aldehydic
 amber
 balsam
 citrus
 green
 herbal
 incense
 lemon
 waxy
 woody

natural occurrence in :
not found in nature



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