dimethyl glutarate 1119-40-0

dimethyl glutarate

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IUPAC name :

dimethyl pentanedioate

InChI :

InChI=1/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3

InChIKey :

XTDYIOOONNVFMA-UHFFFAOYAM

SMILES :

COC(=O)CCCC(=O)OC

cas number :	1119-40-0
(EINECS) number :	214-277-2
beilstein number :	1771444
fema number :	4604
fl. number :	09.935
molar refractivity :	38.02 ± 0.3 cm3
parachor :	360.1 ± 4.0 cm3
index of refraction :	1.417 ± 0.02
surface tension :	32.3 ± 3.0 dyne/cm
density :	1.060 ± 0.06 g/cm3
polarizability :	15.07 ± 0.5 10-24cm3
XlogP :	0.30
XlogP3 :	0.60
molecular weight :	160.1677800 (IUPAC)
formula :	C7 H12 O4
NMR Predictor :	Predict

export tariff code :

2917.19.2000

fda reg :

unspecified

Suppliers :

Frinton :

Dimethyl Glutarate

Sigma-Aldrich-Aldrich :

DBE-5 dibasic ester
98%

organoleptics :

properties :

assay :

98.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.08700 @ 25.00 °C.

refractive index :

1.42400 @ 20.00 °C.

melting point :

48.00 to 50.00 °C. @ 760.00 mm Hg

boiling point :

213.00 to 215.00 °C. @ 760.00 mm Hg

boiling point :

93.00 to 95.00 °C. @ 13.00 mm Hg

vapor pressure :

0.20000 mm/Hg @ 20.00 °C.

flash point :

218.00 °F. TCC ( 103.33 °C. )

logP (o/w) :

0.62

safety :

most important hazard(s) :

Xi - Irritant

R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.

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) :

30.00 (μg/capita/day)

modified Theoretical Added Maximum Daily Intake (mTAMDI) :

38000 (μg/person/day)

Threshold of concern :

1800 (μg/person/day)

Structure Class :

recommendation for dimethyl glutarate usage levels up to :

not for fragrance use.

Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).

The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.

publication number : 24

average usual ppm

average maximum ppm

baked goods :

beverages(nonalcoholic) :

20.00000

50.00000

beverages(alcoholic) :

20.00000

50.00000

breakfast cereal :

cheese :

chewing gum :

600.00000

1600.00000

condiments / relishes :

confectionery froastings :

80.00000

240.00000

egg products :

fats / oils :

fish products :

frozen dairy :

fruit ices :

gelatins / puddings :

granulated sugar :

gravies :

hard candy :

120.00000

280.00000

imitation dairy :

instant coffee / tea :

jams / jellies :

meat products :

milk products :

nut products :

other grains :

poultry :

processed fruits :

processed vegetables :

reconstituted vegetables :

seasonings / flavors :

snack foods :

16.00000

32.00000

soft candy :

100.00000

240.00000

soups :

sugar substitutes :

sweet sauces :

Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i).

Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.

average usage mg/kg

maximum usage mg/kg

Dairy products, excluding products of category 02.0 (01.0) :

1.00000

15.00000

Fats and oils, and fat emulsions (type water-in-oil) (02.0) :

1.00000

15.00000

Edible ices, including sherbet and sorbet (03.0) :

10.00000

150.00000

Processed fruit (04.1) :

1.00000

15.00000

Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) :

1.00000

15.00000

Confectionery (05.0) :

100.00000

1500.00000

Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) :

Bakery wares (07.0) :

10.00000

150.00000

Meat and meat products, including poultry and game (08.0) :

1.00000

15.00000

Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) :

1.00000

15.00000

Eggs and egg products (10.0) :

Sweeteners, including honey (11.0) :

Salts, spices, soups, sauces, salads, protein products, etc. (12.0) :

1.00000

15.00000

Foodstuffs intended for particular nutritional uses (13.0) :

Non-alcoholic ("soft") beverages, excl. dairy products (14.1) :

100.00000

1500.00000

Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) :

100.00000

1500.00000

Ready-to-eat savouries (15.0) :

1.00000

15.00000

Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) :

1.00000

15.00000

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

NLM Hazardous Substances Data Bank :

Cancer Citations :

Toxicology Citations :

NLM Developmental and Reproductive Toxicity :

National Toxicology Program :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WGK Germany :

dimethyl pentanedioate

(EINECS) number :

chemidplus :

EPA Substance Registry Services :

1119-40-0

references :

dimethyl pentanedioate

fl. number :

09.935

NIST Chemistry WebBook :

3547036149

pubchem :

157528

Cosmetics :

Cosmetic uses :

antistatic agents
emollients
solvents

other :

CosIng :

cosmetic data

Household Products :

synonyms :
	DBE-5 dibasic ester
	dimethyl pentane dioate
	dimethyl pentanedioate
	glutaric acid dimethyl ester
	pentane dioic acid bis(5-methyl-2-(1-methyl ethyl)cyclohexyl) ester
	pentane dioic acid dimethyl ester
	pentanedioic acid bis(5-methyl-2-(1-methylethyl)cyclohexyl) ester
	pentanedioic acid dimethyl ester
soluble in :
	alcohol
	water, 59000 mg/L @ 25C
(odor and/or flavor) used in :
	antistatic agents
	emollients
	solvents
natural occurrence in :
	not found in nature

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