6-methyl octanal
6-methyloctanal
 
Notes:
None found
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CAS Number: 30689-75-9Picture of molecule3D/inchi
FDA UNII: 369IPU68IF
Nikkaji Web: J2.425.189F
XlogP3-AA: 3.00 (est)
Molecular Weight: 142.24166000
Formula: C9 H18 O
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Racemate
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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JECFA Food Flavoring: 2175  6-methyloctanal
FLAVIS Number: 05.211 (Old)
DG SANTE Food Flavourings: 05.211  6-methyloctanal
FEMA Number: 4433  (+/-)-6-methyloctanal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):30689-75-9 ; (+/-)-6-METHYLOCTANAL
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.50 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.82400 to 0.83000 @  25.00 °C.
Pounds per Gallon - (est).: 6.857 to  6.906
Refractive Index: 1.42400 to 1.43000 @  20.00 °C.
Boiling Point: 182.00 to  184.00 °C. @ 760.00 mm Hg
Acid Value: 2.00 max. KOH/g
Vapor Pressure: 0.759000 mmHg @ 25.00 °C. (est)
Flash Point: 138.00 °F. TCC ( 58.89 °C. )
logP (o/w): 3.305 (est)
Soluble in:
 alcohol
 water, slightly
 water, 152.1 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: fatty
 
Odor Strength: medium
 
 fatty  green  juicy  orange  
Odor Description:
at 100.00 %. 
fatty green juicy orange
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Endeavour Specialty Chemicals
6-Methyloctanal (10% in PG)
Speciality Chemical Product Groups
Endeavour Specialty Chemicals
6-Methyloctanal 10% in Miglyol
Endeavour Specialty Chemicals
6-Methyloctanal
Parchem
6-methyl octanal
R C Treatt & Co Ltd
6-Methyloctanal 10% in Miglyol
Kosher
Robinson Brothers
6-Methyloctanal (10% in PG)
https://www.robinsonbrothers.uk/chemistry-competences
Robinson Brothers
6-Methyloctanal 10% in Miglyol
Robinson Brothers
6-Methyloctanal
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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: flavoring agents
Recommendation for 6-methyl octanal usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1600 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
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: 24
Click here to view publication 24
 average usual ppmaverage maximum ppm
baked goods: 0.100000.30000
beverages(nonalcoholic): 0.100000.30000
beverages(alcoholic): 0.100000.30000
breakfast cereal: --
cheese: 0.100000.30000
chewing gum: 0.100000.30000
condiments / relishes: --
confectionery froastings: 0.100000.30000
egg products: --
fats / oils: 0.100000.50000
fish products: 0.100000.50000
frozen dairy: 0.100000.30000
fruit ices: 0.100000.30000
gelatins / puddings: 0.100000.30000
granulated sugar: 0.100000.30000
gravies: --
hard candy: 0.100000.30000
imitation dairy: --
instant coffee / tea: 0.100000.30000
jams / jellies: 0.100000.30000
meat products: --
milk products: 0.100000.30000
nut products: 0.100000.20000
other grains: --
poultry: 0.100000.30000
processed fruits: 0.100000.30000
processed vegetables: 0.100000.30000
reconstituted vegetables: 0.100000.30000
seasonings / flavors: --
snack foods: --
soft candy: 0.100000.30000
soups: --
sugar substitutes: --
sweet sauces: 0.100000.30000
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 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 (EFSA, 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): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 4.0000020.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.0000010.00000
Bakery wares (07.0): 5.0000025.00000
Meat and meat products, including poultry and game (08.0): 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.000005.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0): 3.0000015.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.0000010.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 4.0000020.00000
Ready-to-eat savouries (15.0): 5.0000025.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 2.0000010.00000
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Safety References:
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Flavouring Group Evaluation 1, Revision 1 (FGE.01Rev 1): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf
Flavouring Group Evaluation 01 Rev2 (FGE.01 Rev2): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 14297102
National Institute of Allergy and Infectious Diseases: Data
 6-methyloctanal
Chemidplus: 0030689759
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References:
Leffingwell: Chirality or Article
 6-methyloctanal
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 14297102
Pubchem (sid): 125738244
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (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): Search
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
 octanal (aldehyde C-8)FL/FR
balsamic
 guaiyl acetateFL/FR
 orange carbonylsFL/FR
2-tetradecenalFL/FR
3-decen-2-oneFL/FR
(E,Z)-2,6-dodecadienalFL/FR
 methyl 2-hexenoateFL/FR
6-methyl-5-hepten-2-one propylene glycol acetalFL/FR
(E)-2-nonenalFL/FR
2-nonenalFL/FR
2-octenalFL/FR
floral
(Z)-4-decen-1-yl acetateFL/FR
fruity
isoamyl octanoateFL/FR
 butyl hexanoateFL/FR
 ethyl 2-hexenoateFL/FR
 methyl 2-methyl butyrateFL/FR
 methyl 3-nonenoateFL/FR
 octen-1-yl cyclopentanoneFL/FR
(E)-2-undecenalFL/FR
green
 cilantro leaf oilFL/FR
 heptanal (aldehyde C-7)FL/FR
(Z)-4-heptenalFL/FR
2-heptyl furanFL/FR
 hexanal (aldehyde C-6)FL/FR
(Z)-3-hexenalFL/FR
6-methyl heptanalFL/FR
(E,Z)-3,6-nonadien-1-olFL/FR
(Z)-2-nonen-1-olFL/FR
(E)-2-nonen-1-olFL/FR
3-octyl formateFL/FR
herbal
3-octyl acetateFL/FR
spicy
 cumin seed absoluteFL/FR
waxy
9-decenoic acidFL/FR
 heptyl octanoateFL/FR
2,4-nonadien-1-olFL/FR
 propyl decanoateFL/FR
 
For Flavor
 
No flavor group found for these
(Z)-4-decen-1-yl acetateFL/FR
9-decen-2-oneFL
2,3-epoxyheptanalFL
 ethyl 2-hexenoateFL/FR
 furfuryl hexanoateFL
 guaiyl acetateFL/FR
(E,E)-2,4-heptadien-1-olFL
 hexanal butane-2,3-diol acetalFL
 hexyl (E)-2-hexenoateFL
 methyl 2-hexenoateFL/FR
6-methyl heptanalFL/FR
6-methyl-5-hepten-2-one propylene glycol acetalFL/FR
2-octenalFL/FR
 propyl decanoateFL/FR
2-propyl pyridineFL
2-tetradecenalFL/FR
(±)-3-(methyl thio) heptanalFL
aldehydic
 octanal (aldehyde C-8)FL/FR
citrus
 cilantro leaf oilFL/FR
 orange carbonylsFL/FR
fatty
2,4-decadienalFL
(E,E)-2,4-heptadienalFL
2-heptyl furanFL/FR
2,4-nonadien-1-olFL/FR
2,4-nonadienalFL
(Z)-2-nonen-1-olFL/FR
2-nonenalFL/FR
fruity
isoamyl octanoateFL/FR
 butyl hexanoateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 2-methyl butyrateFL/FR
 methyl 3-nonenoateFL/FR
 octen-1-yl cyclopentanoneFL/FR
green
3-decen-2-oneFL/FR
 dihydroxyacetophenone (mixed isomers)FL
(E,Z)-2,6-dodecadienalFL/FR
 heptanal (aldehyde C-7)FL/FR
(Z)-4-heptenalFL/FR
(E)-2-heptenalFL
2,4-hexadienalFL
 hexanal (aldehyde C-6)FL/FR
(Z)-3-hexenalFL/FR
2-hexyl pyridineFL
(E,Z)-3,6-nonadien-1-olFL/FR
(E)-2-nonen-1-olFL/FR
(E)-2-nonenalFL/FR
(E,E)-2,4-octadienalFL
2,4-octadienalFL
3-octyl acetateFL/FR
spicy
 cumin seed absoluteFL/FR
waxy
9-decenoic acidFL/FR
 heptyl octanoateFL/FR
3-octyl formateFL/FR
(E)-2-undecenalFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 citrus - 6 mg/kg
Search  PMC Picture
 orange essence oil
Search  PMC Picture
 yuzu peel oil
Search Trop  Picture
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Synonyms:
(±)-6-methyl octanal
(+/-)-6-methyloctanal
(±)-6-methyloctanal
6-methyloctanal
6-methyloctanal, (+/-)-
 octanal, 6-methyl-
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