2-butyl-3-methyl pyrazine 15987-00-5

2-butyl-3-methyl pyrazine

Suppliers organoleptics properties safety references FEMA Index Home Page

Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).

IUPAC name :

2-butyl-3-methylpyrazine

InChI :

InChI=1/C9H14N2/c1-3-4-5-9-8(2)10-6-7-11-9/h6-7H,3-5H2,1-2H3

InChIKey :

IRSIKJPEFMMRHD-UHFFFAOYAY

SMILES :

CCCCC1=NC=CN=C1C

cas number :	15987-00-5
(EINECS) number :	240-126-5
fl. number :	14.091
molar refractivity :	46.07 ± 0.3 cm3
parachor :	389.3 ± 4.0 cm3
index of refraction :	1.495 ± 0.02
surface tension :	36.8 ± 3.0 dyne/cm
density :	0.950 ± 0.06 g/cm3
polarizability :	18.26 ± 0.5 10-24cm3
XlogP :	2.00
XlogP3 :	2.10
molecular weight :	150.2208600 (IUPAC)
formula :	C9 H14 N2
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Nanjing :

2-n-butyl-3-methylpyrazine

Penta :

2-butyl-3-methyl pyrazine

TCI AMERICA :

2-Butyl-3-methylpyrazine
>97.0%(GC)

Tokyo Chemical Industry :

2-Butyl-3-methylpyrazine
>97.0%(GC)

organoleptics :

odor strength :

high ,
recommend smelling in a 0.10 % solution or less

odor description :
at 0.10 % in propylene glycol.

anise licorice

properties :

assay :

97.00 to 100.00 %

Food Chemicals Codex Listed :

melting point :

100.00 °C. @ 760.00 mm Hg

boiling point :

212.00 to 214.00 °C. @ 760.00 mm Hg

vapor pressure :

0.05900 mm/Hg @ 25.00 °C.

flash point :

181.00 °F. TCC ( 82.78 °C. )

logP (o/w) :

2.10

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) :

0.12 (μg/capita/day)

modified Theoretical Added Maximum Daily Intake (mTAMDI) :

270 (μg/person/day)

Threshold of concern :

540 (μg/person/day)

recommendation for 2-butyl-3-methyl pyrazine usage levels up to :

not for fragrance use.

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) :

0.40000

2.00000

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

0.10000

0.50000

Edible ices, including sherbet and sorbet (03.0) :

0.40000

2.00000

Processed fruit (04.1) :

0.40000

2.00000

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

Confectionery (05.0) :

1.00000

5.00000

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

0.20000

1.00000

Bakery wares (07.0) :

1.00000

5.00000

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

0.10000

0.40000

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

0.10000

0.40000

Eggs and egg products (10.0) :

Sweeteners, including honey (11.0) :

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

0.10000

0.50000

Foodstuffs intended for particular nutritional uses (13.0) :

0.20000

1.00000

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

0.20000

1.00000

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

1.00000

5.00000

Ready-to-eat savouries (15.0) :

1.00000

5.00000

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

0.20000

1.00000

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

EPA Chem. Sub. Inventory :

Yes

2-butyl-3-methylpyrazine

(EINECS) number :

240-126-5

chemidplus :

015987005

EPA Substance Registry Services :

15987-00-5

references :

2-butyl-3-methylpyrazine

fl. number :

14.091

NIST Chemistry WebBook :

3987006934

pubchem :

662089

other :

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
2-N-	butyl-3-methyl pyrazine
2-	butyl-3-methylpyrazine
soluble in :
	alcohol
	water, 1220 mg/L @ 25C
insoluble in :
	water
(odor and/or flavor) used in :
	anise
natural occurrence in :
	cocoa - 1 mg/kg
	coffee

information only - not sold by The Good Scents Company.

Top of Page The Good Scents Company Home