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2-butyl-2-octenal
2-hexylidenehexanal

Supplier Sponsors

Name:2-butyloct-2-enal
CAS Number: 13019-16-4Picture of molecule3D/inchi
FDA UNII: 49D14RAJ7M
Nikkaji Web:J450.280I
MDL:MFCD23701665
XlogP3-AA:4.50 (est)
Molecular Weight:182.30654000
Formula:C12 H22 O
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavoring 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
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FEMA Number:4616 2-hexylidenehexanal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):13019-16-4 ; 2-HEXYLIDENEHEXANAL
 
Physical Properties:
Appearance:colorless to pale green clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.84000 to 0.85000 @ 25.00 °C.
Pounds per Gallon - (est).: 6.990 to 7.073
Refractive Index:1.45600 to 1.46000 @ 20.00 °C.
Melting Point: 132.00 to 133.00 °C. @ 760.00 mm Hg
Boiling Point: 262.00 to 264.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.011000 mmHg @ 25.00 °C. (est)
Flash Point: 160.00 °F. TCC ( 160.00 °C. ) (est)
logP (o/w): 4.756 (est)
Shelf Life: 24.00 month(s) or longer if stored properly.
Soluble in:
 alcohol
 water, 6.5 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: green
Odor Strength:medium
Substantivity:79 hour(s) at 100.00 %
aldehydic green watery fruity metallic oily tropical fatty sweaty goaty
Odor Description:at 100.00 %. aldehydic green watery fruity metallic oily tropical fatty sweaty goaty
Luebke, William tgsc, (2021)
Odor sample from: Alfrebro LLC/ Archer Daniels Midland Company
Flavor Type: green
green vegetable leafy cucumber oily herbal fatty watercress violet
Taste Description: green vegetable leafy cucumber oily herbal fatty watercress violet
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Alfrebro
2-BUTYL-2-OCTENAL NATURAL
Axsyn
For experimental / research use only.
2-Octenal, 2-butyl-
Beijing Lys Chemicals
2-Hexylidenehexanal
Parchem
2-butyl-2-octenal
Penta International
2-HEXYLIDENE HEXENAL
Sigma-Aldrich
2-Butyl-2-octenal, natural (US), ≥95%
Odor: green; vegetable
Certified Food Grade Products
 
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
 
Safety in Use Information:
Category:
flavoring agents
Recommendation for 2-butyl-2-octenal usage levels up to:
 not for fragrance use.
 
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: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.002000.01000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: 0.050000.10000
soft candy: --
soups: 0.100000.50000
sugar substitutes: --
sweet sauces: --
 
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 :5352696
National Institute of Allergy and Infectious Diseases:Data
2-butyloct-2-enal
Chemidplus:0013019164
 
References:
 2-butyloct-2-enal
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5352696
Pubchem (sid):134989587
Pherobase:View
 
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):HMDB38972
FooDB:FDB021773
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 pork cured and uncured
Search PMC Picture
 tea leaf
Search Trop Picture
 wheat flour heated
Search Trop Picture
 
Synonyms:
2-butyloct-2-enal
2-hexylidene hexanal
2-hexylidenehexanal
 oct-2-enal, 2-butyl-
2-octenal, 2-butyl-
 
 
Notes:
The E-form is a Pheromone isol. from the glands of Amblypelta nitida and Oecophylla longinoda. Also found in essential oils of Acorus calamus (sweet flag) and Lactuca sativa [CCD]
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