dimethyl dihydrocyclopentapyrazine
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IUPAC name :6,7-dihydro-2,5-dimethyl-5H-cyclopentapyrazine
InChI :InChI=1/C9H12N2/c1-6-3-4-8-9(6)10-5-7(2)11-8/h5-6H,3-4H2,1-2H3
InChIKey :CTFGVWCFSGCLHZ-UHFFFAOYAY
SMILES :CC1CCC2=NC(=CN=C12)C
cas number :38917-61-2
% from :60.00% to 100.00%
coe number :11310
fl. number :14.102
molar refractivity :44.14 ± 0.3 cm3
parachor :358.7 ± 4.0 cm3
index of refraction :1.537 ± 0.02
surface tension :41.6 ± 3.0 dyne/cm
density :1.049 ± 0.06 g/cm3
polarizability :17.49 ± 0.5 10-24cm3
XlogP : 1.00
molecular weight : 148.2049800 (IUPAC)
formula :C9 H12 N2
NMR Predictor :Predict
 
 
IUPAC name :6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazine
InChI :InChI=1/C9H12N2/c1-6-7(2)11-9-5-3-4-8(9)10-6/h3-5H2,1-2H3
InChIKey :AIKNQWWUQFXNAZ-UHFFFAOYAA
SMILES :CC1=NC2=C(CCC2)N=C1C
cas number :38917-62-3
% from :30.00% to 60.00%
fema number :3917
coe number :11309
jecfa number :782
fl. number :14.098
molar refractivity :44.25 ± 0.3 cm3
parachor :357.0 ± 4.0 cm3
index of refraction :1.556 ± 0.02
surface tension :45.4 ± 3.0 dyne/cm
density :1.077 ± 0.06 g/cm3
polarizability :17.54 ± 0.5 10-24cm3
XlogP : 1.10
molecular weight : 148.2049800 (IUPAC)
formula :C9 H12 N2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Frutarom :DIMETHYL DIHYDROCYCLOPENTAPYRAZINE
≥98.00%, NI, Kosher
Odor:  Burnt, Earthy, Nutty, Roast
Suggested Uses: Chocolate, Coffee, Meat, Nut
Penta :dimethyl dihydrocyclopentapyrazine
organoleptics :
odor type :burnt
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in propylene glycol.  		burnt earthy nutty roasted
properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :1.02000 to 1.03000 @ 20.00 °C.
pounds per gallon - calc. : 8.497 to 8.581
refractive index :1.52400 to 1.53200 @ 20.00 °C.
boiling point : 230.00 to 231.00 °C. @ 760.00 mm Hg
vapor density :5.1 ( Air = 1 )
flash point : 149.00  °F.  TCC  ( 65.00 °C. )
logP (o/w) : 1.77
safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.024 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :270 (μg/person/day)
Threshold of concern :540 (μg/person/day)
 
recommendation for dimethyl dihydrocyclopentapyrazine fragrance 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/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0) : 0.400002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 0.100000.50000
Edible ices, including sherbet and sorbet (03.0) : 0.400002.00000
Processed fruit (04.1) : 0.400002.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 1.000005.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 0.200001.00000
Bakery wares (07.0) : 1.000005.00000
Meat and meat products, including poultry and game (08.0) : 0.100000.40000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 0.100000.40000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 0.100000.50000
Foodstuffs intended for particular nutritional uses (13.0) : 0.200001.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 1.000005.00000
Ready-to-eat savouries (15.0) : 1.000005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 0.200001.00000
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
 
 
 
 
6,7-dihydro-2,5-dimethyl-5H-cyclopentapyrazine
chemidplus :38917-61-2
EPA Substance Registry Services :38917-61-2
 
 
 
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazine
chemidplus :38917-62-3
EPA Substance Registry Services :38917-62-3
references :
 
6,7-dihydro-2,5-dimethyl-5H-cyclopentapyrazine
fl. number :14.102
NIST Chemistry WebBook :2912483499
pubchem :10521315
 
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazine
fl. number :14.098
jecfa number :782
NIST Chemistry WebBook :1918962923
pubchem :10544751
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
6,7-dihydro-2,5-dimethyl-5H-cyclopentapyrazine
2,5- and 2,3-dimethyl-6,7-dihydro-5H-cyclopentapyrazine
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
potential blenders :    note
 acetyl pyrrolineFL
2-acetyl-3-methyl pyrazineFL/FR
 benzyl disulfideFL
3,6-cocoa pyrazineFL
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
2,5-dimethyl thiazoleFL
4,5-dimethyl thiazoleFL
2-ethyl furanFL
 filbert heptenoneFL/FR
 furfuryl thioacetateFL
2-heptyl furanFL
 menthofuranFL/FR
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
 nutty quinoxalineFL/FR
2-propionyl-2-thiazolineFL
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl formateFL
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
 tropical trithianeFL/FR
potential uses :
 chocolate
 coffee
 meat
 nut
natural occurrence in :    note
 coffee  

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