6-methyl heptanal

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6-methylheptanal

CAS: 63885-09-6 C8 H16 O MW: 128.21472000 green

Identification

Name6-methyl heptanal
CAS Number63885-09-6
FDA UNIIF9U11Z3D65
Molecular FormulaC8 H16 O
Molecular Weight128.21472000
Nikkaji NumberJ73.612K
XlogP32.60 (est)

Regulatory

JECFA Food Flavoring2174 6-methylheptanal
DG SANTE Food Flavourings05.225 6-methylheptanal
FEMA Number4498
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)63885-09-6 ; 6-METHYLHEPTANAL

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 mmHg @ 25.00 °C. (est)
Flash Point 115.00 °F. TCC ( 46.11 °C. )
logP (o/w) 2.796 (est)
Soluble in alcohol
Insoluble in water

Organoleptic Properties

Odor Description at 100.00 %.

Safety Information

Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
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 Concern1800 (μg/person/day)
Structure ClassI
baked goods0.10000
beverages(nonalcoholic)0.10000
beverages(alcoholic)0.10000
breakfast cereal-
cheese0.10000
chewing gum0.10000
condiments / relishes-
confectionery froastings0.10000
egg products-
fats / oils0.10000
fish products0.10000
frozen dairy0.10000
fruit ices0.10000
gelatins / puddings0.10000
granulated sugar0.10000
gravies-
hard candy0.10000
imitation dairy-
instant coffee / tea0.10000
jams / jellies0.10000
meat products-
milk products0.10000
nut products0.10000
other grains-
poultry0.10000
processed fruits0.10000
processed vegetables0.10000
reconstituted vegetables0.10000
seasonings / flavors-
snack foods-
soft candy0.10000
soups-
sugar substitutes-
sweet sauces0.10000
Dairy products, excluding products of category 02.0 (01.0)0.10000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)0.10000
Edible ices, including sherbet and sorbet (03.0)0.10000
Processed fruit (04.1)-
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)0.10000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)-
Bakery wares (07.0)0.10000
Meat and meat products, including poultry and game (08.0)0.10000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)0.10000
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)0.10000
Foodstuffs intended for particular nutritional uses (13.0)0.10000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)0.10000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)0.10000
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)0.10000

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Aromatic Chemicals and Organic Acids.

2-METHYL HEPTALDEHYDE
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Potential Uses

None Found

Natural Occurrence

lemon peel extract mandarin orange orange essence oil PMC zanthoxylum alatum roxb. oil - 300 mg/kg zanthoxylum bungeanum zanthoxylum rhetsoides drake zanthoxylum schinifolium

Synonyms

heptanal, 6-methyl- 6- methylheptanal (4- methylpentyl)acetaldehyde iso octan-1-al Try the PubMed Search.