EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

2-methyl-4-phenyl butanal
2-methyl-4-phenylbutyraldehyde

Supplier Sponsors

Name:2-methyl-4-phenylbutanal
CAS Number: 40654-82-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:255-022-5
FDA UNII:1E564V2EQV
Nikkaji Web:J294.724B
CoE Number:134
XlogP3-AA:2.50 (est)
Molecular Weight:162.23178000
Formula:C11 H14 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
Pubchem Patents:Search
JECFA Food Flavoring:1462 2-methyl-4-phenylbutyraldehyde
FLAVIS Number:05.046 (Old)
DG SANTE Food Flavourings:05.046 2-methyl-4-phenylbutyraldehyde
FEMA Number:2737 2-methyl-4-phenylbutyraldehyde
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 2-METHYL-4-PHENYLBUTYRALDEHYDE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.96800 to 0.97500 @ 25.00 °C.
Pounds per Gallon - (est).: 8.055 to 8.113
Refractive Index:1.50600 to 1.51000 @ 20.00 °C.
Boiling Point: 253.00 °C. @ 760.00 mm Hg
Acid Value: 2.00 max. KOH/g
Vapor Pressure:0.017000 mm/Hg @ 25.00 °C. (est)
Flash Point: 245.00 °F. TCC ( 118.33 °C. )
logP (o/w): 2.698 (est)
Soluble in:
 alcohol
 water, 205.5 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
sweet floral earthy musty
Odor Description:at 10.00 % in dipropylene glycol. sweet floral earthy musty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
2-methyl-4-phenyl butanal
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
Recommendation for 2-methyl-4-phenyl butanal usage levels up to:
  0.2000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.34 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.40 (μg/capita/day)
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: 3
 average usual ppmaverage maximum ppm
baked goods: -0.50000
beverages(nonalcoholic): -0.02000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.50000
fruit ices: -0.50000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -0.50000
imitation dairy: --
instant coffee / tea: --
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:
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 55 (FGE.55): Consideration of phenyl-substituted aliphatic alcohols and related aldehydes and esters evaluated by JECFA (63rd meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives evaluated by EFSA in FGE.15 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):40654-82-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62911
National Institute of Allergy and Infectious Diseases:Data
2-methyl-4-phenylbutanal
Chemidplus:0040654828
 
References:
 2-methyl-4-phenylbutanal
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:40654-82-8
Pubchem (cid):62911
Pubchem (sid):135020217
 
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):HMDB32415
FooDB:FDB009856
ChemSpider:View
 
Potential Blenders and core components note
For Odor
amber
alpha-
ambrinol
FL/FR
cocoa
2-iso
butyl-3,5-(and 3,6)-dimethyl pyrazine
FL/FR
earthy
geosmin
FL/FR
(Z)-
linalool oxide (furanoid)
FL/FR
2-
octanone oxime
FR
1-
octen-3-one
FL/FR
floral
bois de rose oil terpeneless
FL/FR
citronellol
FL/FR
geranium oil morocco
FL/FR
phenethyl butyrate
FL/FR
phenyl acetaldehyde 2,3-butylene glycol acetal
FL/FR
(R)-
styralyl alcohol
FL/FR
fruity
styralyl butyrate
FL/FR
green
alpha,alpha-
dimethyl benzyl alcohol
FL/FR
earthy acetal
FL/FR
methyl cyclocitrone (IFF)
FR
3,5,5-
trimethyl hexanol
FL/FR
mossy
oakmoss absolute
FL/FR
musty
cocoa butenal
FL/FR
naphthyl
ortho-
methyl anisole
FL/FR
nutty
2,3,5-
trimethyl pyrazine
FL/FR
spicy
4-
carvomenthenol
FL/FR
ginger oleoresin
FL/FR
woody
dryopteris filix-mas oleoresin
FR
For Flavor
No flavor group found for these
2-iso
butyl-3,5-(and 3,6)-dimethyl pyrazine
FL/FR
alpha,alpha-
dimethyl benzyl alcohol
FL/FR
earthy acetal
FL/FR
geosmin
FL/FR
(Z)-
linalool oxide (furanoid)
FL/FR
phenyl acetaldehyde 2,3-butylene glycol acetal
FL/FR
(R)-
styralyl alcohol
FL/FR
amber
amber
alpha-
ambrinol
FL/FR
camphoreous
ortho-
methyl anisole
FL/FR
cooling
4-
carvomenthenol
FL/FR
earthy
1-
octen-3-one
FL/FR
floral
bois de rose oil terpeneless
FL/FR
citronellol
FL/FR
geranium oil morocco
FL/FR
fruity
phenethyl butyrate
FL/FR
styralyl butyrate
FL/FR
green
cocoa butenal
FL/FR
oakmoss absolute
FL/FR
3,5,5-
trimethyl hexanol
FL/FR
musty
2,3,5-
trimethyl pyrazine
FL/FR
spicy
ginger oleoresin
FL/FR
turmeric oleoresin
FL
 
Potential Uses:
FRfloral
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 benzenebutanal, a-methyl-
 butyraldehyde, 2-methyl-4-phenyl-
alpha-methyl benzene butanal
2-methyl-4-phenyl butyraldehyde
2-methyl-4-phenylbutanal
2-methyl-4-phenylbutyraldehyde
a-methylbenzenebutanal
4-phenyl-2-methyl butanal
4-phenyl-2-methylbutanal
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
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