nutty pyrazine
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IUPAC name :7-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine
InChI :InChI=1/C8H10N2/c1-6-2-3-7-8(6)10-5-4-9-7/h4-6H,2-3H2,1H3
InChIKey :YZEFQPIMXZVPKP-UHFFFAOYAZ
SMILES :CC1CCC2=NC=CN=C12
cas number :23747-48-0
(EINECS) number :245-864-1
fema number :3306
coe number :2314
jecfa number :781
fl. number :14.037
molar refractivity :39.31 ± 0.3 cm3
parachor :321.1 ± 4.0 cm3
index of refraction :1.541 ± 0.02
surface tension :43.6 ± 3.0 dyne/cm
density :1.073 ± 0.06 g/cm3
polarizability :15.58 ± 0.5 10-24cm3
XlogP : 0.70
molecular weight : 134.1784000 (IUPAC)
formula :C8 H10 N2
NMR Predictor :Predict
 
 
IUPAC name :(7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine
InChI :InChI=1/C8H10N2/c1-6-2-3-7-8(6)10-5-4-9-7/h4-6H,2-3H2,1H3/t6-/m1/s1
InChIKey :YZEFQPIMXZVPKP-ZCFIWIBFBY
SMILES :C[C@@H]1CCC2=NC=CN=C12
cas number :23747-48-0  (R)
molar refractivity :39.31 ± 0.3 cm3
parachor :321.1 ± 4.0 cm3
index of refraction :1.541 ± 0.02
surface tension :43.6 ± 3.0 dyne/cm
density :1.073 ± 0.06 g/cm3
polarizability :15.58 ± 0.5 10-24cm3
XlogP : 0.70
molecular weight : 134.1784000 (IUPAC)
formula :C8 H10 N2
NMR Predictor :Predict
 
 
IUPAC name :(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine
InChI :InChI=1/C8H10N2/c1-6-2-3-7-8(6)10-5-4-9-7/h4-6H,2-3H2,1H3/t6-/m0/s1
InChIKey :YZEFQPIMXZVPKP-LURJTMIEBW
SMILES :C[C@H]1CCC2=NC=CN=C12
cas number :23747-48-0  (S)
molar refractivity :39.31 ± 0.3 cm3
parachor :321.1 ± 4.0 cm3
index of refraction :1.541 ± 0.02
surface tension :43.6 ± 3.0 dyne/cm
density :1.073 ± 0.06 g/cm3
polarizability :15.58 ± 0.5 10-24cm3
XlogP : 0.70
molecular weight : 134.1784000 (IUPAC)
formula :C8 H10 N2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Advanced Biotech :5H-5METHYL6,7DIHYDROCYCLOPENTA B PYRAZINE
Endeavour :5-Methyl-6,7-dihydrocyclopentapyrazine
98%
Frutarom :METHYL DIHYDROCYCLOPENTAPYRAZINE
≥98.00%, NI, Kosher
Odor:  Nutty, Sweet
Suggested Uses: Chocolate, Cocoa, Coffee, Nut
Givaudan :Corylone pyrazine
≥98%, NI, Kosher
Odor:  Nutty,Baked Potato
This powerful chemical gives body to roast-type flavours but without the sharpness of most other pyrazines.
Penta :5H-5-methyl-6,7-dihydrocyclopenta(b)pyrazine
SAFC Global® :5H-5-Methyl-6,7-dihydrocyclopenta[b]pyrazine
≥97%, Kosher, FG
Odor:  earthy; peanut
Treatt :5-Methyl-6,7-dihydrocyclopentapyrazine
organoleptics :
odor type :earthy
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in dipropylene glycol.  		earthy baked potato peanut roasted
odor description:
at 1.00 %.  		Sweet, nutty, roasted, toasted, grainy, coffee and corn with savory, meaty nuances
Mosciano, Gerard P&F 23, No. 2, 43, (1998)
taste description:
at 15.00 ppm.  		Musty, nutty, roasted and grainy with coffee notes
Mosciano, Gerard P&F 23, No. 2, 43, (1998)
properties :
appearence :pale yellow to yellowish orange clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.04300 to 1.05600 @ 25.00 °C.
pounds per gallon - calc. : 8.679 to 8.787
refractive index :1.52500 to 1.53300 @ 20.00 °C.
melting point : 121.00 to 123.00 °C. @ 1.00 mm Hg
boiling point : 96.00 to 99.00 °C. @ 20.00 mm Hg
boiling point : 200.00 to 201.00 °C. @ 760.00 mm Hg
vapor density :4.6 ( Air = 1 )
flash point : 174.00  °F.  TCC  ( 78.89 °C. )
logP (o/w) : 1.33
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 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 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :3.90 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :4.00 (μg/capita/day)
 
recommendation for nutty pyrazine fragrance usage levels up to :
  0.0500 % in the fragrance concentrate.
recommendation for nutty pyrazine flavor usage levels up to :
  5.0000 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 :3
 
 
 
 
7-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine
(EINECS) number :245-864-1
chemidplus :023747480
EPA Substance Registry Services :23747-48-0
 
(7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine
 
(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine
references :
 
7-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine
fl. number :14.037
jecfa number :781
NIST Chemistry WebBook :2118912078
pubchem :174079
Flavornet :23747-48-0
 
(7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine
pubchem :43541120
 
(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine
pubchem :43541119
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 corylone pyrazine
6,7-dihydro-5-methyl-5H-cyclopentapyrazine
 maple lactone pyrazine
4-methyl dihydrocyclopentapyrazine
9-methyl-2,5-diazabicyclo(4.3.0)nona-1,3,5-triene
7-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine
5-methyl-6,7-dihydro-5H-cyclopentapyrazine
5H-5-methyl-6,7-dihydrocyclopenta(b)pyrazine
5H-5-methyl-6,7-dihydrocyclopentapyrazine
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
stability :
 stable in most media
potential blenders :    note
2-acetyl furanFL/FR
 acetyl pyrrolineFL
2-acetyl thiazoleFL/FR
2-acetyl-2-thiazolineFL
2-acetyl-3-ethyl pyrazineFL
2-acetyl-3-methyl pyrazineFL/FR
isoamyl phenyl acetateFL/FR
para-anisaldehydeFL/FR
para-anisyl alcoholFL/FR
 beeswax absoluteFL/FR
isobutyl cinnamateFL/FR
 butyl laurateFL/FR
2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazineFL
 caramel furanoneFL
 cassia bark oilFL/FR
 cedrenyl acetateFR
 chocolate pyrazine AFL/FR
 clove bud oilFL/FR
 cocoa hexenalFL/FR
 cocoa pyrazineFL/FR
3,6-cocoa pyrazineFL
 coffee furanoneFL
 diacetylFL
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
 dimethyl dihydrocyclopentapyrazineFL
2,3-dimethyl pyrazineFL/FR
2,5-dimethyl pyrazineFL/FR
2,6-dimethyl pyridineFL
2,5-dimethyl thiazoleFL
4,5-dimethyl thiazoleFL
2-ethoxythiazoleFL
 ethyl cinnamateFL/FR
 ethyl phenyl acetateFL/FR
2-ethyl pyrazineFL/FR
 ethyl vanillinFL/FR
5-ethyl-2-methyl pyridineFL
2-ethyl-3-methoxypyrazineFL/FR
2-ethyl-6-methyl pyrazineFL
 filbert heptenoneFL/FR
 filbert pyrazineFL
 furfuryl thioacetateFL
 green pea pyrazineFL
2-heptyl furanFL
 immortelle absoluteFL/FR
 maltolFL/FR
3-mercapto-2-pentanoneFL
 methionalFL
2-methoxy-3-methyl pyrazineFL/FR
2-methoxy-3-propyl pyrazineFL
2-methoxy-4-vinyl phenolFL/FR
 methyl 2-(methyl thio) acetateFL
alpha-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
 methyl cyclopentenoloneFL/FR
2-methyl pyrazineFL/FR
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
2-(methyl thio) acetaldehydeFL
4-(methyl thio) butanolFL
dextro,laevo-3-(methyl thio) butanoneFL
gamma-nonalactoneFL/FR
 nutty quinoxalineFL/FR
gamma-octalactoneFL/FR
 peanut dithiazineFL
 phenyl acetic acidFL/FR
3-phenyl propyl alcoholFL/FR
 potato butanoneFL
 potato butyraldehydeFL
2-propionyl-2-thiazolineFL
 propylene glycol acetone ketalFL
 strawberry furanoneFL/FR
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl formateFL
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
 tonka bean absoluteFR
2,3,5-trimethyl pyrazineFL
 vanilla absoluteFL/FR
 vanillyl acetateFL/FR
potential uses :
 almond
 beef
 bread
 cappuccino
 caramel
 cereal
 chicory root
 chocolate cacao
 chocolate cocoa
 coconut
 coffee
 cream ice cream
 earth humus
 fenugreek
 gingerbread
 graham cracker
 meat
 nut
 nut cashew
 nut filbert
 nut hazelnut
 nut peanut
 nut pecan
 nut walnut
 pork
 potato
 potato baked potato
 potato fried potato
 praline
 rice
 vanilla
natural occurrence in :    note
 almond S
 beef heated beef  
 cocoa S
 coffee  
 filbert  
 peanut  
 pork  
 sesame seed oil S

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