propylene glycol dibenzoate 19224-26-1

propylene glycol dibenzoate

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IUPAC name :

1-(benzoyloxy)propan-2-yl benzoate

InChI :

InChI=1/C17H16O4/c1-13(21-17(19)15-10-6-3-7-11-15)12-20-16(18)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3

InChIKey :

UMVMVEZHMZTUHD-UHFFFAOYAP

SMILES :

CC(COC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

cas number :	19224-26-1
(EINECS) number :	242-894-7
fema number :	3419
coe number :	10890
jecfa number :	862
fl. number :	09.803
molar refractivity :	78.59 ± 0.3 cm3
parachor :	629.2 ± 4.0 cm3
index of refraction :	1.560 ± 0.02
surface tension :	44.9 ± 3.0 dyne/cm
density :	1.169 ± 0.06 g/cm3
polarizability :	31.15 ± 0.5 10-24cm3
XlogP :	4.20
molecular weight :	284.3065400 (IUPAC)
formula :	C17 H16 O4
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

175.105

Suppliers :

Sigma-Aldrich-SAFC :

1,2-Propanediol dibenzoate

Unitex :

UNIPLEX 284
98% Minimum

organoleptics :

odor type :

ethereal

odor strength :

medium

odor description :¹
at 100.00 %.

salmon algae metallic shellfish

odor sample from :

Sigma-Aldrich Inc.

substantivity :

7 hour(s) at 100.00 %

properties :

appearence :

colorless clear liquid

assay :

96.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.15700 to 1.16300 @ 25.00 °C.

pounds per gallon - calc. :

9.627 to 9.677

refractive index :

1.54200 to 1.54700 @ 20.00 °C.

melting point :

-3.00 °C. @ 760.00 mm Hg

boiling point :

232.00 °C. @ 12.00 mm Hg

acid value :

1.00 max. KOH/g

flash point :

235.00 °F. TCC ( 112.78 °C. )

logP (o/w) :

4.83

shelf life :

24.00 month(s) or longer if stored properly.

storage :

store in cool, dry place in tightly sealed containers, protected from heat and light.

safety :

most important hazard(s) :

None - None found.

S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

Maximised Survey-derived Daily Intakes (MSDI-EU) :

ND (μg/capita/day)

Maximised Survey-derived Daily Intakes (MSDI-USA) :

14.00 (μg/capita/day)

Structure Class :

recommendation for propylene glycol dibenzoate usage levels up to :

not for fragrance use.

recommendation for propylene glycol dibenzoate usage levels up to :

85.0000 ppm in the flavor.

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

EPA Chem. Sub. Inventory :

Yes

WGK Germany :

1-(benzoyloxy)propan-2-yl benzoate

(EINECS) number :

242-894-7

chemidplus :

019224261

EPA Substance Registry Services :

19224-26-1

references :

1-(benzoyloxy)propan-2-yl benzoate

fl. number :

09.803

jecfa number :

862

NIST Chemistry WebBook :

4205826121

pubchem :

10512095

Cosmetics :

Cosmetic uses :

skin conditioning

other :

reference :

Luebke, William tgsc, (2007)¹

CosIng :

cosmetic data

synonyms :
1-(	benzoyloxy)propan-2-yl benzoate
1,2-	propane diol dibenzoate
	propane-1,2-diyl dibenzoate
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) used in :
	skin conditioning
	solvents
natural occurrence in :
	not found in nature

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