acetaldehyde dibutyl acetal
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IUPAC name :
1-(1-butoxyethoxy)butane
InChI :
InChI=1/C10H22O2/c1-4-6-8-11-10(3)12-9-7-5-2/h10H,4-9H2,1-3H3
InChIKey :
SWTCCCJQNPGXLQ-UHFFFAOYAN
SMILES :
CCCCOC(C)OCCCC
cas number :
871-22-7
(EINECS) number :
212-804-0
beilstein number :
1698922
coe number :
2341
fl. number :
06.033
molar refractivity :
51.82 ± 0.3 cm3
parachor :
466.7 ± 4.0 cm3
index of refraction :
1.415 ± 0.02
surface tension :
25.9 ± 3.0 dyne/cm
density :
0.843 ± 0.06 g/cm3
polarizability :
20.54 ± 0.5 10-24cm3
XlogP :
3.10
XlogP3-AA :
3.00
molecular weight :
174.2804800
(IUPAC)
formula :
C10 H22 O2
BioActivity Analysis :
71447
NMR Predictor :
Predict
export tariff code :
2911.00.5000
fda reg :
unspecified
Suppliers :
Inoue :
ACETALDEHYDE DIBUTYL ACETAL
Nanjing :
1,1'-[ethylidenebis(oxy)]dibuta
organoleptics :
properties :
appearence :
colorless clear liquid
assay :
95.00 to 100.00 %
Food Chemicals Codex Listed :
No
boiling point :
191.00 to 193.00 °C. @ 760.00 mm Hg
flash point :
115.00 °F. TCC ( 46.11 °C. )
logP (o/w) :
3.27
safety :
Oral Toxicity(LD50) :
Oral-Rat 8790.00 mg/kg
(Smyth et al., 1954)
Dermal Toxicity(LD50) :
Not determined
Inhalation Toxicity(LC50) :
Not determined
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :
0.073 (μg/capita/day)
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
1-(1-butoxyethoxy)butane
(EINECS) number :
212-804-0
chemidplus :
000871227
EPA Substance Registry Services :
871-22-7
dtp/nci :
5314
references :
1-(1-butoxyethoxy)butane
fl. number :
06.033
NIST Chemistry WebBook :
3596152294
pubchem :
656137
other :
synonyms :
1-(1-
butoxyethoxy)butane
1,1-
dibutoxyethane
1,1'-(
ethylidene bis(oxy)) dibutane
soluble in :
alcohol
insoluble in :
water
natural occurrence in :
not found in nature
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Html Last modified 11/15/2009