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2-ethyl hexenal
2-ethyl-2-hexenal

Supplier Sponsors

Name:2-ethylhex-2-enal
CAS Number: 645-62-5Picture of molecule3D/inchi
Other(deleted CASRN):128744-21-8
ECHA EINECS - REACH Pre-Reg:211-448-3
FDA UNII: Search
MDL:MFCD00006983
XlogP3-AA:2.30 (est)
Molecular Weight:126.19878000
Formula:C8 H14 O
NMR Predictor:Predict (works with chrome, Edge 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
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FEMA Number:4612 2-ethyl-2-hexenal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):645-62-5 ; 2-ETHYL-2-HEXENAL
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 176.00 to 179.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.173000 mmHg @ 25.00 °C. (est)
Flash Point: 123.00 °F. TCC ( 50.56 °C. )
logP (o/w): 2.718 (est)
Soluble in:
 alcohol
 water, 548.6 mg/L @ 25 °C (est)
 water, 586 mg/L @ 25 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Alfrebro
2-ETHYL-2-HEXENAL NATURAL
BOC Sciences
For experimental / research use only.
2-Ethyl-2-hexenal
Frinton Laboratories
For experimental / research use only.
2-Ethyl-2-hexenal
Parchem
2-ethyl hexenal
Penta International
2-ETHYL-2-HEXENAL NATURAL
Penta International
2-ETHYL-2-HEXENAL
Santa Cruz Biotechnology
For experimental / research use only.
2-Ethyl-2-hexenal (cis- and trans- mixture)
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Ethyl-2-hexenal
TCI AMERICA
For experimental / research use only.
2-Ethyl-2-hexenal >90.0%(GC)(T)
 
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:
oral-rat LD50 3000 mg/kg
Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.

Dermal Toxicity:
skin-guinea pig LD50 > 20 mL/kg
"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 699, 1969.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
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: 0.003000.00500
beverages(nonalcoholic): 0.001000.00500
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 0.030000.08000
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: 0.002000.01000
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: --
 
Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):645-62-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12582
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
2-ethylhex-2-enal
Chemidplus:0000645625
EPA/NOAA CAMEO:hazardous materials
RTECS:MP6300000 for cas# 645-62-5
 
References:
 2-ethylhex-2-enal
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:645-62-5
Pubchem (cid):12582
Pubchem (sid):134976788
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2912.19.5000
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
 cnidium officinale makino
Search Trop Picture
 
Synonyms:
2-ethyl hex-2-enal
2-ethyl-2-hexen-1-al
2-ethyl-2-hexenal
2-ethyl-3-propyl acrolein
2-ethyl-3-propylacrylaldehyde
alpha-ethyl-beta-propylacrolein
2-ethylhex-2-en-1-al
2-ethylhex-2-enal
2-ethylhexenal
 hex-2-en-1-al, 2-ethyl-
2-hexenal, 2-ethyl-
 
 
Notes:
None found
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