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(±)-2-phenyl-4-methyl-2-hexenal
4-methyl-2-phenylhex-2-enal

Supplier Sponsors

Name:4-methyl-2-phenylhex-2-enal
CAS Number: 26643-92-5Picture of molecule3D/inchi
FDA UNII: BA0G19BTR6
XlogP3-AA:3.50 (est)
Molecular Weight:188.26972000
Formula:C13 H16 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
DG SANTE Food Flavourings:05.222 (+/-) 2-phenyl-4-methyl-2-hexenal
FEMA Number:4194 (+/-) 2-phenyl-4-methyl-2-hexenal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):26643-92-5 ; (+/-)-2-PHENYL-4-METHYL-2-HEXENAL
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.96500 to 0.97500 @ 25.00 °C.
Pounds per Gallon - (est).: 8.030 to 8.113
Refractive Index:1.52200 to 1.53000 @ 20.00 °C.
Boiling Point: 307.00 to 309.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 255.00 °F. TCC ( 123.80 °C. ) (est)
logP (o/w): 4.086 (est)
Soluble in:
 alcohol
 water, 30.53 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
(±)-2-Phenyl-4-methyl-2-hexenal
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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
 
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
Recommendation for (±)-2-phenyl-4-methyl-2-hexenal usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.00 (μg/capita/day)
Structure Class: II
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: 22
Click here to view publication 22
 average usual ppmaverage maximum ppm
baked goods: 2.0000015.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: 1.000007.00000
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: 2.0000012.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 1.000008.00000
fruit ices: --
gelatins / puddings: 0.500005.00000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: 0.500007.50000
instant coffee / tea: 2.0000012.00000
jams / jellies: --
meat products: --
milk products: 0.500005.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 1.0000015.00000
soups: --
sugar substitutes: --
sweet sauces: --
 
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 216: alpha,beta-Unsaturated aldehydes from chemical subgroup 3.3 of FGE.19: 2-Phenyl-2-alkenals[1]
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 216, Revision 1 (FGE.216Rev1). Consideration of genotoxic potential for a,ß-unsaturated 2-Phenyl -2-Alkenals from Subgroup 3.3 of FGE.19
View page or View pdf

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 :53424808
National Institute of Allergy and Infectious Diseases:Data
4-methyl-2-phenylhex-2-enal
Chemidplus:0026643925
 
References:
 4-methyl-2-phenylhex-2-enal
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):53424808
Pubchem (sid):135337194
 
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):Search
FooDB:FDB010073
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
 bread
Search PMC Picture
 
Synonyms:
 benzeneacetaldehyde, a-(2-methylbutylidene)-
alpha-(2-methyl butylidene) benzene acetaldehyde
4-methyl-2-phenyl alpha-(2-methyl butylidene)-2-hexen-1-al benzene acetaldehyde
4-methyl-2-phenyl alpha-(2-methyl butylidene)-2-hexenal benzene acetaldehyde
4-methyl-2-phenyl alpha-(2-methylbutylidene)-2-hexenalbenzeneacetaldehyde
4-methyl-2-phenyl-2-hexenal
4-methyl-2-phenylhex-2-enal
alpha-(2-methylbutylidene) benzeneacetaldehyde
(±)-2-phenyl-4-methyl-2-hexen-1-al
(+/-) 2-phenyl-4-methyl-2-hexenal
 
 
Notes:
Used as a food additive [EAFUS]
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