acetaldehyde 2,3-butane diol acetal 3299-32-9

acetaldehyde 2,3-butane diol acetal

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IUPAC name :

2,4,5-trimethyl-1,3-dioxolane

InChI :

InChI=1/C6H12O2/c1-4-5(2)8-6(3)7-4/h4-6H,1-3H3

InChIKey :

HLEXJAVJCZLRTH-UHFFFAOYAM

SMILES :

CC1C(OC(O1)C)C

cas number :	3299-32-9
(EINECS) number :	221-969-8
molar refractivity :	31.16 ± 0.3 cm3
parachor :	287.3 ± 4.0 cm3
index of refraction :	1.392 ± 0.02
surface tension :	23.3 ± 3.0 dyne/cm
density :	0.888 ± 0.06 g/cm3
polarizability :	12.35 ± 0.5 10-24cm3
XlogP :	1.10
XlogP3-AA :	1.10
molecular weight :	116.1582800 (IUPAC)
formula :	C6 H12 O2
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Nanjing :

2,4,5-trimethyl-1,3-dioxolane

organoleptics :

properties :

appearence :

colorless clear liquid

assay :

95.00 to 100.00 %

Food Chemicals Codex Listed :

boiling point :

115.00 to 117.00 °C. @ 760.00 mm Hg

flash point :

75.00 °F. TCC ( 23.89 °C. )

logP (o/w) :

0.75

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for acetaldehyde 2,3-butane diol acetal usage levels up to :

not for fragrance use.

safety references :

EPI System :

view

Canada Domestic Sub. List :

Yes

2,4,5-trimethyl-1,3-dioxolane

(EINECS) number :

221-969-8

chemidplus :

003299329

EPA Substance Registry Services :

3299-32-9

references :

2,4,5-trimethyl-1,3-dioxolane

NIST Chemistry WebBook :

3299329

pubchem :

680465

other :

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
	acetaldehyde 2,3-butanediol acetal
2,4,5-	trimethyl-1,3-dioxolane
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) used in :
	wine
natural occurrence in :
	carob
	wine

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