12-methyl tridecanal 75853-49-5

12-methyl tridecanal

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IUPAC name :

12-methyltridecanal

InChI :

InChI=1/C14H28O/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h13-14H,3-12H2,1-2H3

InChIKey :

OQWNKUAZQSLNSR-UHFFFAOYAC

SMILES :

CC(C)CCCCCCCCCCC=O

cas number :	75853-49-5
fema number :	4005
coe number :	5169
jecfa number :	1229
fl. number :	05.169
molar refractivity :	67.05 ± 0.3 cm3
parachor :	595.4 ± 4.0 cm3
index of refraction :	1.434 ± 0.02
surface tension :	28.6 ± 3.0 dyne/cm
density :	0.825 ± 0.06 g/cm3
polarizability :	26.58 ± 0.5 10-24cm3
XlogP :	5.50
molecular weight :	212.3715200 (IUPAC)
formula :	C14 H28 O
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Givaudan :

12-Methyltridecanal
10% in Myglyol, NI, Kosher
Odor: Cooked meat, tallow, meat broth, sweat.

Treatt :

12-Methyltridecanal
10% solution in Migliol

organoleptics :

odor type :

meaty

odor strength :

medium ,
recommend smelling in a 1.00 % solution or less

odor description :
at 1.00 % in propylene glycol.

cooked meat tallow fat meat broth sweat fruity

properties :

appearence :

colorless to pale yellow clear liquid

assay :

98.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.93000 to 0.94100 @ 25.00 °C.

pounds per gallon - calc. :

7.739 to 7.830

refractive index :

1.44500 to 1.45500 @ 20.00 °C.

boiling point :

141.00 to 143.00 °C. @ 4.00 mm Hg

boiling point :

275.00 to 276.00 °C. @ 760.00 mm Hg

acid value :

2.00 max. KOH/g

vapor pressure :

0.00500 mm/Hg @ 25.00 °C.

flash point :

232.00 °F. TCC ( 111.11 °C. )

logP (o/w) :

6.04

safety :

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) :

0.29 (μg/capita/day)

recommendation for 12-methyl tridecanal 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 : 20. Update in publication number(s) : 21

average usual ppm

average maximum ppm

baked goods :

35.00000

70.00000

beverages(nonalcoholic) :

0.70000

7.00000

beverages(alcoholic) :

breakfast cereal :

0.70000

3.50000

cheese :

0.10000

5.00000

chewing gum :

condiments / relishes :

0.10000

0.50000

confectionery froastings :

1.00000

5.00000

egg products :

3.50000

35.00000

fats / oils :

3.50000

35.00000

fish products :

0.25000

5.00000

frozen dairy :

fruit ices :

gelatins / puddings :

granulated sugar :

gravies :

3.50000

35.00000

hard candy :

3.50000

35.00000

imitation dairy :

instant coffee / tea :

jams / jellies :

meat products :

3.50000

35.00000

milk products :

0.70000

7.00000

nut products :

other grains :

poultry :

0.25000

5.00000

processed fruits :

processed vegetables :

0.10000

1.00000

reconstituted vegetables :

seasonings / flavors :

200.00000

500.00000

snack foods :

7.00000

35.00000

soft candy :

soups :

0.70000

7.00000

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) :

3.00000

15.00000

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

2.00000

10.00000

Edible ices, including sherbet and sorbet (03.0) :

3.00000

15.00000

Processed fruit (04.1) :

2.00000

10.00000

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

Confectionery (05.0) :

4.00000

20.00000

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

2.00000

10.00000

Bakery wares (07.0) :

5.00000

25.00000

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

1.00000

5.00000

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

1.00000

5.00000

Eggs and egg products (10.0) :

Sweeteners, including honey (11.0) :

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

2.00000

10.00000

Foodstuffs intended for particular nutritional uses (13.0) :

3.00000

15.00000

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

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

4.00000

20.00000

Ready-to-eat savouries (15.0) :

5.00000

25.00000

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

2.00000

10.00000

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

Canada Domestic Sub. List :

Yes

12-methyltridecanal

chemidplus :

075853495

EPA Substance Registry Services :

75853-49-5

references :

12-methyltridecanal

fl. number :

05.169

jecfa number :

1229

NIST Chemistry WebBook :

2063998205

pubchem :

3769602

other :

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
12-	methyltridecanal
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
	celery seed oleoresin
(Z)-2-	decen-1-al
2,5-	dihydroxy-1,4-dithiane
2-	methyl thiazolidine
2-	methyl-3-,5 or 6-(furfuryl thio) pyrazine
2-	naphthyl mercaptan
	octyl 2-furoate
4-	penten-1-yl acetate
iso	propyl mercaptan
	roasted butanol
3-	thienyl mercaptan
(odor and/or flavor) used in :
	beef
	chicken
	cilantro
	fruit
	mango
	meat
	turkey
natural occurrence in :
	beef stewed beef
	chicken
	lamb
	pork
	turkey

information only - not sold by The Good Scents Company.

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