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
orders in chinese.

organoleptics :
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  
rose green chloroform

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 :
Category :flavor and fragrance agents
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
 di-n-butyl acetal
 dibutane acetal
1,1-dibutoxyethane
 dibutyl acetal
1,1'-(ethylidene bis(oxy)) dibutane
 firmaflore

Similar Products:    note
 acetaldehyde diisobutyl acetal

soluble in :
 alcohol

insoluble in :
 water

potential blenders :    note
alpha-amyl cinnamyl alcoholFL/FR
 anatolyl LRG 1247FR
 citronellyl acetateFL/FR
 citronellyl cinnamateFL/FR
 citronellyl senecioateFL/FR
beta-cyclocitralFL/FR
gamma-damasconeFR
 dimethyl benzyl carbinolFL/FR
 ethyl formateFL/FR
(E)-ethyl geranateFL/FR
 geranium absoluteFL/FR
 geranyl formateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 leather cyclohexanolFR
 muguet carbinolFL/FR
 narcissus acetateFL/FR
 phenethyl formateFL/FR
 phenethyl isopropyl etherFR
 phenethyl oxyacetaldehydeFR
 phenethyl propionateFL/FR
 phenethyl tiglateFL/FR
 phenyl propyl phenyl acetateFL/FR
(S)-rhodinolFL/FR
 rhodinyl acetateFL/FR
 rhodinyl isobutyrateFL/FR
 rhodinyl isovalerateFL/FR
 rose carbonateFR
(Z)-rose oxideFL/FR
 rose pyranFR

potential uses :
 carnation dianthus oeillet
 green
 muguet lily of the valley
 rose
 rose red rose
 topnotes
 violet

natural occurrence in :    note
 not found in nature  

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