6-methyl heptanal
6-methylheptanal
 
Notes:
None found
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6-methylheptanal (Click)
CAS Number: 63885-09-6Picture of molecule
FDA UNII: F9U11Z3D65
Nikkaji Web: J73.612K
XlogP3: 2.60 (est)
Molecular Weight: 128.21472000
Formula: C8 H16 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
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
IBM Patents: Obtain
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Pubchem Patents: Search
JECFA Food Flavoring: 2174  6-methylheptanal
Flavis Number: 05.225 (Old)
DG SANTE Food Flavourings: 05.225  6-methylheptanal
FEMA Number: 4498  6-methylheptanal
FDA Mainterm: 6-METHYLHEPTANAL
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.80600 to 0.81600 @  25.00 °C.
Pounds per Gallon - (est).: 6.707 to  6.790
Refractive Index: 1.40600 to 1.41600 @  20.00 °C.
Boiling Point: 162.00 to  163.00 °C. @ 760.00 mm Hg
Acid Value: 2.00 max. KOH/g
Vapor Pressure: 2.106000 mm/Hg @ 25.00 °C. (est)
Flash Point: 115.00 °F. TCC ( 46.11 °C. )
logP (o/w): 2.796 (est)
Soluble in:
 alcohol
 water, 455.6 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: green
Odor Strength: medium
 fresh  green  juicy  sweet  orange  
Odor Description:
at 100.00 %. 
fresh green juicy sweet orange
  
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Cosmetic Information:
None found
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Suppliers:
Carbosynth
For experimental / research use only.
6-Methylheptanal
Parchem
6-methyl heptanal
Santa Cruz Biotechnology
For experimental / research use only.
6-methylheptanal
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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Safety Information:
Preferred SDS: View
 
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
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.61 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 52 (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): 0.100000.30000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.100000.50000
Edible ices, including sherbet and sorbet (03.0): 0.100000.30000
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.100000.30000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): --
Bakery wares (07.0): 0.100000.30000
Meat and meat products, including poultry and game (08.0): 0.100000.30000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100000.50000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.100000.30000
Foodstuffs intended for particular nutritional uses (13.0): 0.100000.30000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.100000.30000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.100000.30000
Ready-to-eat savouries (15.0): --
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.100000.30000
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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 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 : 104307
National Institute of Allergy and Infectious Diseases: Data
 6-methylheptanal
Chemidplus: 0063885096
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References:
 6-methylheptanal
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 104307
Pubchem (sid): 135061177
Pherobase: View
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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 Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): Search
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
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Synonyms:
 heptanal, 6-methyl-
6-methylheptanal
(4-methylpentyl)acetaldehyde
isooctan-1-al
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Articles:
 None found yet.
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