alpha-isopropyl phenyl acetaldehyde
3-methyl-2-phenylbutyraldehyde
 
Notes:
Used as a food additive [EAFUS]
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2-cyclohexyl-3-methylbutanal (Click)
CAS Number: 2439-44-3Picture of molecule
ECHA EINECS - REACH Pre-Reg: 219-461-6
FDA UNII: OC2500269O
Nikkaji Web: J216.079J
MDL: MFCD11934481
CoE Number: 135
XlogP3-AA: 2.70 (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: 1463  3-methyl-2-phenylbutyraldehyde
Flavis Number: 05.097 (Old)
DG SANTE Food Flavourings: 05.097  3-methyl-2-phenylbutyraldehyde
FEMA Number: 2738  3-methyl-2-phenylbutyraldehyde
FDA Mainterm: 3-METHYL-2-PHENYLBUTYRALDEHYDE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Physical Properties:
Appearance: colorless clear oily liquid (est)
Assay: 96.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.97200 to 0.98200 @  25.00 °C.
Pounds per Gallon - (est).: 8.088 to  8.171
Refractive Index: 1.49500 to 1.50100 @  20.00 °C.
Boiling Point: 238.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.052000 mm/Hg @ 25.00 °C. (est)
Flash Point: 214.00 °F. TCC ( 101.11 °C. )
logP (o/w): 3.005 (est)
Soluble in:
 alcohol
 dipropylene glycol
 water, 237.5 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: green
 
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 
 green  fruity  
Odor Description:
at 10.00 % in dipropylene glycol. 
green fruity
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Aston Chemical
For experimental / research use only.
Benzeneacetaldehyde, a-(1-methylethyl)-
Parchem
alpha-isopropyl phenyl acetaldehyde
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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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
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for alpha-isopropyl phenyl acetaldehyde usage levels up to:
  1.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.07 (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
Click here to view publication 3
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -0.10000
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: 0.320000.50000
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: --
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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 ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 12255414
National Institute of Allergy and Infectious Diseases: Data
 2-cyclohexyl-3-methylbutanal
Chemidplus: 0002439443
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References:
 2-cyclohexyl-3-methylbutanal
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 2439-44-3
Pubchem (cid): 12255414
Pubchem (sid): 135262963
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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): HMDB33562
FooDB: FDB011631
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E)-tiglaldehydeFL/FR
balsamic
isoamyl benzoateFL/FR
 propyl cinnamateFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
citrus
 citral dimethyl acetalFL/FR
(E)-4-decenalFL/FR
2-heptanolFL/FR
ethereal
2-methyl valeraldehydeFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
fatty
3-decen-2-oneFL/FR
 hexyl pivalateFR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
fermented
3-methyl-1-pentanolFL/FR
floral
alpha-amyl cinnamaldehyde diethyl acetalFR
 anisyl propanal / methyl anthranilate schiff's baseFR
 boronia absoluteFL/FR
 citronellyl propionateFL/FR
 cuminyl acetaldehydeFL/FR
gamma-damasconeFR
 dimethyl benzyl carbinolFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
6,8-dimethyl-2-nonanolFR
 ethyl 2-benzyl butyrateFL/FR
 farnesyl acetateFL/FR
(E)-geranyl acetoneFL/FR
 hydroxycitronellal diethyl acetalFL/FR
 lily propanolFR
 ocean propanal / methyl anthranilate schiff's baseFR
 papaya isobutyrateFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
isopropyl phenyl acetateFL/FR
laevo-rose oxideFL/FR
 styralyl formateFL/FR
 terpinyl isobutyrateFL/FR
fruity
 acetaldehyde dihexyl acetalFL/FR
 allyl amyl glycolateFR
 allyl butyrateFL/FR
isoamyl butyrateFL/FR
 amyl hexanoateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
 benzyl methyl etherFL/FR
 berry pentadienoateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-octenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 geranyl isovalerateFL/FR
 heptanal cyclic ethylene acetalFR
 heptyl isobutyrateFL/FR
 hexanal propylene glycol acetalFL/FR
2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl acetateFL/FR
 hexyl isovalerateFL/FR
 hexyl propionateFL/FR
 linalyl hexanoateFL/FR
 methyl 3-nonenoateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
 methyl heptanoateFL/FR
 methyl valerateFL/FR
 nerolidyl isobutyrateFR
 octen-1-yl cyclopentanoneFL/FR
 octyl butyrateFL/FR
 peach pivalateFR
2-pentyl furanFL/FR
4-phenyl-2-butyl acetateFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
 rhubarb undecaneFR
 tetrahydrofurfuryl butyrateFL/FR
 tropical indeneFR
 tropical thiazoleFL/FR
green
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 acetaldehyde methyl hexyl acetalFR
isoamyl 3-(2-furan) propionateFL/FR
isoamyl formateFL/FR
 butyl 2-methyl butyrateFL/FR
isobutyl benzyl carbinolFL/FR
2-isobutyl thiazoleFL/FR
 chrysanthemum oxideFL/FR
 cognac heptanoneFL/FR
 cumin acetaldehydeFL/FR
alpha-decalactoneFL/FR
 decanal propylene glycol acetalFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-4-decenoateFL/FR
 green dioxolaneFR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
3-hexenalFL/FR
2-hexenyl acetateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl octanoateFL/FR
2,4-ivy carbaldehydeFL/FR
 ivy carbaldehyde / methyl anthranilate schiff's baseFR
 ivy dioxolaneFR
 leafy oximeFR
 manzanate (Givaudan)FL/FR
 methyl cyclocitrone (IFF)FR
 methyl R-3-acetoxyhexanoate 
4-methyl-4-phenyl pentanoneFR
 narcissus flower absoluteFR
 octyl oxyacetaldehydeFR
(E)-2-pentenalFL/FR
 phenethyl acetalFR
 phenoxyacetaldehyde 50% in benzyl alcoholFR
 phenoxyethyl isobutyrateFL/FR
 phenyl acetaldehydeFL/FR
3-phenyl propionaldehydeFL/FR
isopropyl quinolineFR
 sorbyl isobutyrateFL/FR
 thiogeraniolFL/FR
 violet dienyneFR
herbal
 clary sage absoluteFL/FR
 tricyclodecyl acetateFR
marine
 marine hexaneFR
sulfurous
 buchu mercaptanFL/FR
tropical
beta-cyclocitralFL/FR
waxy
 allyl nonanoateFL/FR
9-decenoic acidFL/FR
(E,E)-2,4-dodecadien-1-ol 
(E)-methyl geranateFL/FR
 octyl 2-methyl butyrateFL/FR
woody
 verdoxanFR
 woody acetateFR
 
For Flavor
 
No flavor group found for these
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 allyl tiglateFL
 butyl 2-methyl butyrateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
alpha-decalactoneFL/FR
 decanal propylene glycol acetalFL/FR
(E,E)-2,4-dodecadien-1-ol 
 ethyl 2-benzyl butyrateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
(E,E)-2,4-heptadien-1-olFL
2-hexenalFL
2-hexenal diethyl acetalFL
2-hexenyl acetateFL/FR
 hexyl (E)-2-hexenoateFL
 hexyl propionateFL/FR
 linalyl hexanoateFL/FR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
 methyl 4-pentenoateFL
(E)-methyl geranateFL/FR
(E)-2-methyl-2-octenalFL
2-methyl-2-octenalFL
3-methyl-3-pentanolFL
(E,E)-3,5-octadien-2-oneFL
4-phenyl-2-butyl acetateFL/FR
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
 styralyl formateFL/FR
 terpinyl isobutyrateFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
(E)-tiglaldehydeFL/FR
isoamyl 3-(2-furan) propionateFL/FR
 sorbyl isobutyrateFL/FR
alliaceous
 tropical thiazoleFL/FR
amber
isobutyl benzyl carbinolFL/FR
berry
 heptyl isobutyrateFL/FR
citrus
 citral dimethyl acetalFL/FR
 cognac heptanoneFL/FR
cooling
 manzanate (Givaudan)FL/FR
cucumber
2-ethyl octine carbonateFL
earthy
1-hexen-3-yl acetateFL
estery
 ethyl acetoacetateFL/FR
fatty
 ethyl (E)-4-decenoateFL/FR
floral
 citronellyl propionateFL/FR
 farnesyl acetateFL/FR
(E)-geranyl acetoneFL/FR
laevo-rose oxideFL/FR
fruity
isoamyl benzoateFL/FR
 amyl hexanoateFL/FR
isoamyl octanoateFL/FR
 benzyl methyl etherFL/FR
 berry pentadienoateFL/FR
 boronia absoluteFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl 2-octenoateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 furfuryl propionateFL
2-heptanolFL/FR
 hexanal propylene glycol acetalFL/FR
2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl acetateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 3-nonenoateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
 methyl heptanoateFL/FR
 methyl valerateFL/FR
 octen-1-yl cyclopentanoneFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl cinnamateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
green
 acetaldehyde dihexyl acetalFL/FR
 allyl butyrateFL/FR
isoamyl formateFL/FR
isoamyl isovalerateFL/FR
2-isobutyl thiazoleFL/FR
 chrysanthemum oxideFL/FR
 clary sage absoluteFL/FR
 cumin acetaldehydeFL/FR
 cuminyl acetaldehydeFL/FR
3-decen-2-oneFL/FR
 geranyl isovalerateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
3-hexenalFL/FR
(E)-2-hexenal diethyl acetalFL
 hexyl (E)-tiglateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
2,4-ivy carbaldehydeFL/FR
 methyl 2-undecynoateFL
 methyl R-3-acetoxyhexanoate 
 papaya isobutyrateFL/FR
(E)-2-pentenalFL/FR
2-pentyl furanFL/FR
 phenoxyethyl isobutyrateFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
honey
 phenyl acetaldehydeFL/FR
isopropyl phenyl acetateFL/FR
medicinal
 dimethyl benzyl carbinolFL/FR
melon
 hydroxycitronellal diethyl acetalFL/FR
minty
 thiogeraniolFL/FR
ripe
(E)-4-decenalFL/FR
rummy
(E)-2-hexen-1-yl formateFL/FR
sour
3-methyl valeric acidFL
sulfurous
 buchu mercaptanFL/FR
tropical
beta-cyclocitralFL/FR
vegetable
2-methyl valeraldehydeFL/FR
waxy
 allyl nonanoateFL/FR
isoamyl butyrateFL/FR
9-decenoic acidFL/FR
 octyl 2-methyl butyrateFL/FR
 octyl butyrateFL/FR
whiskey
3-methyl-1-pentanolFL/FR
 
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Potential Uses:
 fruitFR
 greenFR
 hyacinth jacintheFR
 magnoliaFR
 sweet peaFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 benzeneacetaldehyde, a-(1-methylethyl)-
2-cyclohexyl-3-methylbutanal
alpha-(1-methyl ethyl) benzene acetaldehyde
3-methyl-2-phenyl butanal
3-methyl-2-phenyl butyraldehyde
3-methyl-2-phenylbutanal
3-methyl-2-phenylbutyraldehyde
alpha-(1-methylethyl) benzeneacetaldehyde
alpha-phenyl isopentanal
alpha-phenyl isovaleraldehyde
alpha-iso-propyl phenyl acetaldehyde
alpha-isopropyl phenylacetaldehyde
alpha-iso-propyl phenylacetaldehyde
a-isopropylphenylacetaldehyde
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Articles:
 None found yet.
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