2-methyl undecanal dimethyl acetal 68141-17-3

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 :

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 :

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
iso	amyl 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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