acetaldehyde ethyl amyl acetal 13442-89-2

acetaldehyde ethyl amyl acetal

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IUPAC name :

1-(1-ethoxyethoxy)pentane

InChI :

InChI=1/C9H20O2/c1-4-6-7-8-11-9(3)10-5-2/h9H,4-8H2,1-3H3

InChIKey :

QMLYOIJQQWWNKE-UHFFFAOYAI

SMILES :

CCCCCOC(C)OCC

cas number :	13442-89-2
(EINECS) number :	236-580-9
molar refractivity :	47.19 ± 0.3 cm3
parachor :	426.9 ± 4.0 cm3
index of refraction :	1.410 ± 0.02
surface tension :	25.3 ± 3.0 dyne/cm
density :	0.842 ± 0.06 g/cm3
polarizability :	18.70 ± 0.5 10-24cm3
XlogP :	2.80
XlogP3-AA :	2.60
molecular weight :	160.2539000 (IUPAC)
formula :	C9 H20 O2
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Nanjing :

pentane,1-(1-ethoxyethoxy)-

organoleptics :

properties :

appearence :

colorless clear liquid

assay :

95.00 to 100.00 %

Food Chemicals Codex Listed :

boiling point :

173.00 to 175.00 °C. @ 760.00 mm Hg

flash point :

103.00 °F. TCC ( 39.44 °C. )

logP (o/w) :

2.74

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for acetaldehyde ethyl amyl acetal usage levels up to :

not for fragrance use.

safety references :

EPI System :

view

EPA Chem. Sub. Inventory :

Yes

1-(1-ethoxyethoxy)pentane

(EINECS) number :

236-580-9

chemidplus :

013442892

EPA Substance Registry Services :

13442-89-2

references :

1-(1-ethoxyethoxy)pentane

NIST Chemistry WebBook :

13442892

pubchem :

691412

other :

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
	acetaldehyde ethyl pentyl acetal
1-(1-	ethoxyethoxy) pentane
1-(1-	ethoxyethoxy)pentane
soluble in :
	alcohol
insoluble in :
	water
natural occurrence in :
	strawberry

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