2,6-dimethyl octanal
2,6-dimethyloctanal
 
Notes:
None found
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      7779-07-9 Octanal, 2,6-dimethyl-
       
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Fragrance Demo Formulas
CAS Number: 7779-07-9Picture of molecule3D/inchi
FDA UNII: N4726GT28P
Nikkaji Web: J1.536.537D
CoE Number: 112
XlogP3-AA: 3.50 (est)
Molecular Weight: 156.26860000
Formula: C10 H20 O
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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NCBI: Search
JECFA Food Flavoring: 273  2,6-dimethyloctanal
DG SANTE Food Flavourings: 05.023  2,6-dimethyloctanal
FEMA Number: 2390 2,6-dimethyloctanal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):7779-07-9 ; 2,6-DIMETHYLOCTANAL
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 196.00 to  197.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.369000 mmHg @ 25.00 °C. (est)
Flash Point: 168.00 °F. TCC ( 75.56 °C. )
logP (o/w): 3.659 (est)
Soluble in:
 alcohol
 water, 58.11 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: green
 
Odor Strength: medium
 
 dry  grassy  weedy  waxy  rose  
Odor Description:
at 100.00 %. 
dry grassy weedy waxy rose
Luebke, William tgsc, (1988)
 
 
Flavor Type: green
 
 green  fresh  citrus  aldehydic  weedy  waxy  powdery  
Taste Description:
green fresh citrus aldehydic weedy waxy powdery
Luebke, William tgsc, (1988)
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Octanal, 2,6-dimethyl-
Parchem
2,6-dimethyl octanal
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 2,6-dimethyl octanal usage levels up to:
  8.0000 % in the fragrance concentrate.
 
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 Flavor Ingredient Library
publication number: 3
Click here to view publication 3
 average usual ppmaverage maximum ppm
baked goods: -1.90000
beverages(nonalcoholic): -0.44000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -3.20000
fruit ices: -3.20000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -1.90000
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: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5463910
National Institute of Allergy and Infectious Diseases: Data
 2,6-dimethyloctanal
Chemidplus: 0007779079
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References:
 2,6-dimethyloctanal
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 7779-07-9
Pubchem (cid): 5463910
Pubchem (sid): 135262951
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB37806
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
aldehydic
6,7,8-decen-1-olFR
9-decenalFL/FR
 geranyl oxyacetaldehydeFR
 green hexanalFL/FR
 lily pentanalFR
2-methyl undecanal dimethyl acetalFR
 nonanal (aldehyde C-9)FL/FR
 TMH aldehydeFR
2-tridecenalFL/FR
10-undecenal (aldehyde C-11 undecylenic)FL/FR
alliaceous
 dibutyl sulfideFL/FR
balsamic
isoamyl benzoateFL/FR
 hemlock western oil (tsuga heterophylla) canadaFR
 spruce needle absoluteFL/FR
citrus
 citronella oil javaFR
 citronellal / methyl anthranilate schiff's baseFR
 lemon oil c.p. californiaFL/FR
 lemon oil c.p. furocoumarin reducedFL/FR
 litsea cubeba fruit oilFL/FR
2-methyl decanal (aldehyde C-11 MOA)FL/FR
 myrcenyl acetateFL/FR
(E)-2-tetradecenalFL/FR
creamy
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
dairy
 methyl butyl phenyl acetateFL/FR
earthy
scotch pine needle oilFL/FR
scotch pine needle oil estoniaFL/FR
scotch pine needle oil yugoslaviaFL/FR
ethereal
 ethyl formateFL/FR
fatty
 decyl oxyacetaldehydeFR
5-methyl-5-hexen-2-oneFL/FR
(E)-2-octenalFL/FR
floral
isoamyl undecylenateFL/FR
 azalea fragranceFR
 cassie absoluteFL/FR
 cassie concreteFR
 citronellalFL/FR
 citronellolFL/FR
 citronellyl acetateFL/FR
 citronellyl phenyl acetateFL/FR
gamma-damasconeFR
9-decen-1-olFL/FR
 dewy propionateFR
 dimethyl benzyl carbinolFL/FR
 dimethyl octanolFL/FR
 gardenia oxideFR
 geraniolFL/FR
 geranyl acetateFL/FR
(E)-geranyl acetoneFL/FR
 geranyl formateFL/FR
 geranyl propionateFL/FR
 hexyl 2-furoateFL/FR
 hydroxycitronellalFL/FR
 hydroxycitronellal dimethyl acetalFL/FR
 jasmin cyclopentanolFR
 mimosa absolute franceFL/FR
 muguet carbinolFL/FR
 narcissus acetateFL/FR
 phenethyl formateFL/FR
 phenyl propyl phenyl acetateFR
 rhodinolFL/FR
 rose absolute (rosa damascena) bulgariaFL/FR
 rose butanoateFL/FR
 rose oil (rosa damascena) turkeyFL/FR
(Z)-rose oxideFL/FR
 rose pyranFR
 styralyl propionateFL/FR
2-undecen-1-olFL/FR
(E)-2-undecen-1-olFL/FR
fresh
 decyl vinyl etherFR
10-undecen-1-yl acetateFL/FR
fruity
 allyl cyclohexyl acetateFL/FR
 cyclohexyl propionateFL/FR
 decyl butyrateFL/FR
 ethyl 2-octenoateFL/FR
 geranyl butyrateFL/FR
 grape butyrateFL/FR
 hexyl acetateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
2-methyl-2-pentenalFL/FR
2-nonanoneFL/FR
 prenyl ethyl etherFL/FR
green
 alfalfa absoluteFR
 bark carbaldehydeFR
 butyl heptanoateFL/FR
sec-butyl-3-methyl but-2-ene thioateFL/FR
3,7-dimethyl-6-octenoic acidFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 geranium absoluteFL/FR
isogreen methanoindeneFR
(Z)-3-hepten-1-olFL/FR
3-hepten-2-oneFL/FR
 heptyl formateFL/FR
 heptyl heptanoateFL/FR
2-heptyl tetrahydrofuranFR
 hexanal dihexyl acetalFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
(Z)-3-hexenalFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl octanoateFL/FR
 hexyl phenyl acetateFL/FR
 leafy oximeFR
 lilac acetaldehydeFL/FR
 melon nonenoateFL/FR
 neryl butyrateFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
3,6-nonadien-1-yl acetateFL/FR
(E)-2-nonen-1-olFL/FR
 oakmoss resinFR
 phenethyl isopropyl etherFR
 phenethyl oxyacetaldehydeFR
 phenethyl tiglateFL/FR
 phenyl acetaldehyde ethylene glycol acetalFR
2-phenyl propionaldehydeFL/FR
isopropyl quinolineFR
 propylene acetalFL/FR
 rosa damascena leaf absoluteFR
3,5,5-trimethyl hexanolFL/FR
herbal
isoamyl heptanoateFL/FR
 anethum graveolens herb tinctureFL/FR
 herbal ketoneFR
leathery
 leather cyclohexanolFR
melon
(Z)-6-nonen-1-olFL/FR
minty
(-)-menthoneFL/FR
spicy
3-(2-furyl) acroleinFL/FR
vegetable
1-furfuryl pyrroleFL/FR
waxy
 decanal diethyl acetalFL/FR
9-decenoic acidFL/FR
 ethyl nonanoateFL/FR
(E)-methyl geranateFL/FR
2-methyl heptanoic acidFL/FR
 methyl octanoateFL/FR
2-nonanolFL/FR
(Z)-3-nonen-1-olFL/FR
 octanolFL/FR
 octyl isobutyrateFL/FR
 phenethyl octanoateFL/FR
1-undecanolFL/FR
(E)-2-undecen-1-yl acetateFR
 waxy acetateFR
woody
(E)-ethyl geranateFR
 
For Flavor
 
No flavor group found for these
isoamyl undecylenateFL/FR
sec-butyl-3-methyl but-2-ene thioateFL/FR
9-decenalFL/FR
2-ethyl pyridineFL
3-(2-furyl) acroleinFL/FR
(Z)-3-hepten-1-olFL/FR
2-heptenoic acidFL
 hexanal dihexyl acetalFL/FR
(Z)-3-hexenoic acidFL
(E)-methyl geranateFL/FR
3-(methyl thio) hexanalFL
(E,E)-3,5-octadien-2-oneFL
scotch pine needle oilFL/FR
scotch pine needle oil estoniaFL/FR
scotch pine needle oil yugoslaviaFL/FR
 prenyl ethyl etherFL/FR
 propylene acetalFL/FR
(E)-2-undecen-1-olFL/FR
2-undecen-1-olFL/FR
aldehydic
 nonanal (aldehyde C-9)FL/FR
2-tridecenalFL/FR
1-undecanolFL/FR
balsamic
 spruce needle absoluteFL/FR
2-nonanoneFL/FR
 curacao flavorFL
 lemon flavorFL
 lemon oil c.p. californiaFL/FR
 lemon oil c.p. furocoumarin reducedFL/FR
 litsea cubeba fruit oilFL/FR
2-methyl decanal (aldehyde C-11 MOA)FL/FR
 myrcenyl acetateFL/FR
 styralyl propionateFL/FR
creamy
3-hepten-2-oneFL/FR
 octyl isobutyrateFL/FR
dairy
 methyl butyl phenyl acetateFL/FR
ethereal
 ethyl formateFL/FR
5-methyl-5-hexen-2-oneFL/FR
fatty
 dimethyl octanolFL/FR
 heptyl formateFL/FR
(E)-2-octenalFL/FR
10-undecenal (aldehyde C-11 undecylenic)FL/FR
floral
 citronellalFL/FR
 citronellolFL/FR
 citronellyl acetateFL/FR
 citronellyl phenyl acetateFL/FR
3,7-dimethyl-6-octenoic acidFL/FR
 geraniolFL/FR
(E)-geranyl acetoneFL/FR
 muguet carbinolFL/FR
 rhodinolFL/FR
 rose absolute (rosa damascena) bulgariaFL/FR
 rose oil (rosa damascena) turkeyFL/FR
fruity
 allyl cyclohexyl acetateFL/FR
isoamyl benzoateFL/FR
 butyl heptanoateFL/FR
 cyclohexyl propionateFL/FR
 decyl butyrateFL/FR
 ethyl 2-octenoateFL/FR
 geranyl butyrateFL/FR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
 hexyl acetateFL/FR
 hexyl phenyl acetateFL/FR
 lilac acetaldehydeFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
2-methyl-2-pentenalFL/FR
 phenethyl octanoateFL/FR
 rose butanoateFL/FR
greasy
10-undecen-1-yl acetateFL/FR
green
 anethum graveolens herb tinctureFL/FR
 dibutyl sulfideFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 geranium absoluteFL/FR
 geranyl acetateFL/FR
 geranyl formateFL/FR
 grape butyrateFL/FR
 heptyl heptanoateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
(Z)-3-hexenalFL/FR
 hexyl 2-furoateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl octanoateFL/FR
 melon nonenoateFL/FR
 methyl octanoateFL/FR
 narcissus acetateFL/FR
 neryl butyrateFL/FR
3,6-nonadien-1-yl acetateFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
(E)-2-nonen-1-olFL/FR
 phenethyl formateFL/FR
 phenethyl tiglateFL/FR
2-phenyl propionaldehydeFL/FR
(Z)-rose oxideFL/FR
3,5,5-trimethyl hexanolFL/FR
herbal
isoamyl heptanoateFL/FR
 green hexanalFL/FR
meaty
12-methyl tridecanalFL
medicinal
 dimethyl benzyl carbinolFL/FR
minty
(-)-menthoneFL/FR
spicy
 cassie absoluteFL/FR
vegetable
alpha-benzylidene methionalFL
1-furfuryl pyrroleFL/FR
waxy
 decanal diethyl acetalFL/FR
9-decen-1-olFL/FR
9-decenoic acidFL/FR
 ethyl nonanoateFL/FR
 geranyl propionateFL/FR
 hydroxycitronellalFL/FR
 hydroxycitronellal dimethyl acetalFL/FR
2-methyl heptanoic acidFL/FR
 mimosa absolute franceFL/FR
2-nonanolFL/FR
(Z)-6-nonen-1-olFL/FR
(Z)-3-nonen-1-olFL/FR
 octanolFL/FR
(E)-2-tetradecenalFL/FR
 
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Potential Uses:
 floralFR
 grass 
 greenFR
 herbalFR
 roseFR
 weedy 
 woodyFR
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Occurrence (nature, food, other): note
 citrus australasica
Search Trop  Picture
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Synonyms:
2,6-dimethyl octanoic aldehyde
2,6-dimethyloctanal
 octanal, 2,6-dimethyl-
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