undecanal dimethyl acetal 52517-67-6

undecanal dimethyl acetal

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IUPAC name :

1,1-dimethoxyundecane

InChI :

InChI=1/C13H28O2/c1-4-5-6-7-8-9-10-11-12-13(14-2)15-3/h13H,4-12H2,1-3H3

InChIKey :

FBJUQTUWWCVIDH-UHFFFAOYAK

SMILES :

CCCCCCCCCCC(OC)OC

cas number :	52517-67-6
(EINECS) number :	257-989-9
molar refractivity :	65.72 ± 0.3 cm3
parachor :	586.0 ± 4.0 cm3
index of refraction :	1.426 ± 0.02
surface tension :	27.3 ± 3.0 dyne/cm
density :	0.844 ± 0.06 g/cm3
polarizability :	26.05 ± 0.5 10-24cm3
XlogP :	5.30
molecular weight :	216.3602200
formula :	C13 H28 O2
NMR Predictor :	Predict

export tariff code :

2911.00.5000

fda reg :

unspecified

organoleptics :

odor type :

floral

odor strength :

medium

odor description :
at 100.00 %.

fresh floral citrus

properties :

appearence :

colorless clear liquid

assay :

98.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.84300 to 0.85300 @ 25.00 °C.

pounds per gallon - calc. :

7.015 to 7.098

refractive index :

1.42300 to 1.43300 @ 20.00 °C.

boiling point :

68.00 °C. @ 15.00 mm Hg

boiling point :

248.00 to 249.00 °C. @ 760.00 mm Hg

vapor pressure :

0.03700 mm/Hg @ 25.00 °C.

flash point :

225.00 °F. TCC ( 107.22 °C. )

logP (o/w) :

4.86

safety :

most important hazard(s) :

Xi - Irritant

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for undecanal dimethyl acetal usage levels up to :

2.0000 % in the fragrance concentrate.

recommendation for undecanal dimethyl acetal usage levels up to :

not for flavor use.

safety references :

EPI System :

view

EPA Chem. Sub. Inventory :

Yes

1,1-dimethoxyundecane

(EINECS) number :

257-989-9

chemidplus :

052517676

EPA Substance Registry Services :

52517-67-6

references :

1,1-dimethoxyundecane

NIST Chemistry WebBook :

2756704517

pubchem :

681644

other :

synonyms :
	aldehyde C-11 undecylic dimethyl acetal
1,1-	dimethoxyundecane
soluble in :
	alcohol
insoluble in :
	water
stability :
	alkalis
(odor and/or flavor) used in :
	citrus
	floral
	fresh
natural occurrence in :
	not found in nature

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