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

alpha-isopropyl phenyl acetaldehyde
3-methyl-2-phenylbutyraldehyde

Sponsors

Name:2-cyclohexyl-3-methylbutanal
CAS Number: 2439-44-3Picture of molecule3D/inchi
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:No longer provide for the use of these seven synthetic flavoring substances
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.
 
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
 
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).
 
Cosmetic Information:
None found
 
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
 
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 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
 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: --
 
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
 
References:
 2-cyclohexyl-3-methylbutanal
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2439-44-3
Pubchem (cid):12255414
Pubchem (sid):135262963
 
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
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E)-
tiglaldehyde
FL/FR
balsamic
balsamic
iso
amyl benzoate
FL/FR
propyl cinnamate
FL/FR
tetrahydrofurfuryl cinnamate
FL/FR
citrus
citral dimethyl acetal
FL/FR
(E)-4-
decenal
FL/FR
2-
heptanol
FL/FR
ethereal
2-
methyl valeraldehyde
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fatty
3-
decen-2-one
FL/FR
hexyl pivalate
FR
methyl (E)-2-hexenoate
FL/FR
methyl 2-hexenoate
FL/FR
fermented
3-
methyl-1-pentanol
FL/FR
floral
alpha-
amyl cinnamaldehyde diethyl acetal
FR
anisyl propanal / methyl anthranilate schiff's base
FR
boronia absolute
FL/FR
citronellyl propionate
FL/FR
cuminyl acetaldehyde
FL/FR
gamma-
damascone
FR
dimethyl benzyl carbinol
FL/FR
2,4-
dimethyl cyclohexyl methyl acetate
FR
6,8-
dimethyl-2-nonanol
FR
ethyl 2-benzyl butyrate
FL/FR
farnesyl acetate
FL/FR
(E)-
geranyl acetone
FL/FR
hydroxycitronellal diethyl acetal
FL/FR
lily propanol
FR
ocean propanal / methyl anthranilate schiff's base
FR
papaya isobutyrate
FL/FR
phenyl acetaldehyde diisobutyl acetal
FL/FR
iso
propyl phenyl acetate
FL/FR
laevo-
rose oxide
FL/FR
styralyl formate
FL/FR
terpinyl isobutyrate
FL/FR
fruity
acetaldehyde dihexyl acetal
FL/FR
allyl amyl glycolate
FR
allyl butyrate
FL/FR
iso
amyl butyrate
FL/FR
amyl hexanoate
FL/FR
iso
amyl isovalerate
FL/FR
iso
amyl octanoate
FL/FR
benzyl methyl ether
FL/FR
berry pentadienoate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
FL/FR
2-
cyclopentyl cyclopentanone
FL/FR
diethyl malonate
FL/FR
dimethyl succinate
FL/FR
ethyl 2-cyclohexyl propionate
FR
ethyl 2-octenoate
FL/FR
ethyl 3-acetoxyhexanoate
FL/FR
ethyl 3,5,5-trimethyl hexanoate
FR
ethyl acetoacetate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
geranyl isovalerate
FL/FR
heptanal cyclic ethylene acetal
FR
heptyl isobutyrate
FL/FR
hexanal propylene glycol acetal
FL/FR
2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl 2-methyl-2-pentenoate
FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl (E)-tiglate
FL/FR
hexyl acetate
FL/FR
hexyl isovalerate
FL/FR
hexyl propionate
FL/FR
linalyl hexanoate
FL/FR
methyl 3-nonenoate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl heptanoate
FL/FR
methyl valerate
FL/FR
nerolidyl isobutyrate
FR
octen-1-yl cyclopentanone
FL/FR
octyl butyrate
FL/FR
peach pivalate
FR
2-
pentyl furan
FL/FR
4-
phenyl-2-butyl acetate
FL/FR
pineapple pentenoate
FL/FR
prenol
FL/FR
prenyl ethyl ether
FL/FR
prenyl hexanoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
rhubarb undecane
FR
tetrahydrofurfuryl butyrate
FL/FR
tropical indene
FR
tropical thiazole
FL/FR
green
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
acetaldehyde methyl hexyl acetal
FR
iso
amyl 3-(2-furan) propionate
FL/FR
iso
amyl formate
FL/FR
butyl 2-methyl butyrate
FL/FR
iso
butyl benzyl carbinol
FL/FR
2-iso
butyl thiazole
FL/FR
chrysanthemum oxide
FL/FR
cognac heptanone
FL/FR
cumin acetaldehyde
FL/FR
alpha-
decalactone
FL/FR
decanal propylene glycol acetal
FL/FR
ethyl (E)-2-hexenoate
FL/FR
ethyl (E)-4-decenoate
FL/FR
green dioxolane
FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl formate
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
3-
hexenal
FL/FR
2-
hexenyl acetate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl octanoate
FL/FR
2,4-
ivy carbaldehyde
FL/FR
ivy carbaldehyde / methyl anthranilate schiff's base
FR
ivy dioxolane
FR
leafy oxime
FR
manzanate (Givaudan)
FL/FR
methyl cyclocitrone (IFF)
FR
4-
methyl-4-phenyl pentanone
FR
narcissus flower absolute
FR
octyl oxyacetaldehyde
FR
(E)-2-
pentenal
FL/FR
phenethyl acetal
FR
phenoxyacetaldehyde 50% in benzyl alcohol
FR
phenoxyethyl isobutyrate
FL/FR
phenyl acetaldehyde
FL/FR
3-
phenyl propionaldehyde
FL/FR
iso
propyl quinoline
FR
sorbyl isobutyrate
FL/FR
thiogeraniol
FL/FR
violet dienyne
FR
herbal
clary sage absolute
FL/FR
tricyclodecyl acetate
FR
marine
marine hexane
FR
sulfurous
buchu mercaptan
FL/FR
tropical
beta-
cyclocitral
FL/FR
waxy
allyl nonanoate
FL/FR
9-
decenoic acid
FL/FR
(E)-
methyl geranate
FL/FR
octyl 2-methyl butyrate
FL/FR
woody
verdoxan
FR
woody acetate
FR
For Flavor
No flavor group found for these
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
allyl tiglate
FL
butyl 2-methyl butyrate
FL/FR
2-
cyclopentyl cyclopentanone
FL/FR
alpha-
decalactone
FL/FR
decanal propylene glycol acetal
FL/FR
ethyl 2-benzyl butyrate
FL/FR
ethyl 3-acetoxyhexanoate
FL/FR
(E,E)-2,4-
heptadien-1-ol
FL
2-
hexenal
FL
2-
hexenal diethyl acetal
FL
2-
hexenyl acetate
FL/FR
hexyl (E)-2-hexenoate
FL
hexyl propionate
FL/FR
linalyl hexanoate
FL/FR
methyl (E)-2-hexenoate
FL/FR
methyl 2-hexenoate
FL/FR
methyl 4-pentenoate
FL
(E)-
methyl geranate
FL/FR
(E)-2-
methyl-2-octenal
FL
2-
methyl-2-octenal
FL
3-
methyl-3-pentanol
FL
(E,E)-3,5-
octadien-2-one
FL
4-
phenyl-2-butyl acetate
FL/FR
prenyl ethyl ether
FL/FR
prenyl hexanoate
FL/FR
styralyl formate
FL/FR
terpinyl isobutyrate
FL/FR
tetrahydrofurfuryl cinnamate
FL/FR
(E)-
tiglaldehyde
FL/FR
iso
amyl 3-(2-furan) propionate
FL/FR
sorbyl isobutyrate
FL/FR
alliaceous
alliaceous
tropical thiazole
FL/FR
amber
iso
butyl benzyl carbinol
FL/FR
berry
heptyl isobutyrate
FL/FR
citrus
citral dimethyl acetal
FL/FR
cognac heptanone
FL/FR
cooling
manzanate (Givaudan)
FL/FR
cucumber
2-
ethyl octine carbonate
FL
earthy
1-
hexen-3-yl acetate
FL
estery
ethyl acetoacetate
FL/FR
fatty
ethyl (E)-4-decenoate
FL/FR
floral
citronellyl propionate
FL/FR
farnesyl acetate
FL/FR
(E)-
geranyl acetone
FL/FR
laevo-
rose oxide
FL/FR
fruity
iso
amyl benzoate
FL/FR
amyl hexanoate
FL/FR
iso
amyl octanoate
FL/FR
benzyl methyl ether
FL/FR
berry pentadienoate
FL/FR
boronia absolute
FL/FR
butyl isobutyrate
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
FL/FR
diethyl malonate
FL/FR
dimethyl succinate
FL/FR
ethyl (E)-2-hexenoate
FL/FR
ethyl (E)-2-octenoate
FL
ethyl 2-octenoate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
furfuryl propionate
FL
2-
heptanol
FL/FR
hexanal propylene glycol acetal
FL/FR
2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl acetate
FL/FR
methyl (E)-3-nonenoate
FL
methyl 3-nonenoate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl heptanoate
FL/FR
methyl valerate
FL/FR
octen-1-yl cyclopentanone
FL/FR
pineapple pentenoate
FL/FR
prenol
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl cinnamate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
green
acetaldehyde dihexyl acetal
FL/FR
allyl butyrate
FL/FR
iso
amyl formate
FL/FR
iso
amyl isovalerate
FL/FR
2-iso
butyl thiazole
FL/FR
chrysanthemum oxide
FL/FR
clary sage absolute
FL/FR
cumin acetaldehyde
FL/FR
cuminyl acetaldehyde
FL/FR
3-
decen-2-one
FL/FR
geranyl isovalerate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
3-
hexenal
FL/FR
(E)-2-
hexenal diethyl acetal
FL
hexyl (E)-tiglate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
hexyl octanoate
FL/FR
2,4-
ivy carbaldehyde
FL/FR
methyl 2-undecynoate
FL
papaya isobutyrate
FL/FR
(E)-2-
pentenal
FL/FR
2-
pentyl furan
FL/FR
phenoxyethyl isobutyrate
FL/FR
phenyl acetaldehyde diisobutyl acetal
FL/FR
3-
phenyl propionaldehyde
FL/FR
honey
phenyl acetaldehyde
FL/FR
iso
propyl phenyl acetate
FL/FR
medicinal
dimethyl benzyl carbinol
FL/FR
melon
hydroxycitronellal diethyl acetal
FL/FR
minty
thiogeraniol
FL/FR
ripe
(E)-4-
decenal
FL/FR
rummy
(E)-2-
hexen-1-yl formate
FL/FR
sour
3-
methyl valeric acid
FL
sulfurous
buchu mercaptan
FL/FR
tropical
beta-
cyclocitral
FL/FR
vegetable
2-
methyl valeraldehyde
FL/FR
waxy
allyl nonanoate
FL/FR
iso
amyl butyrate
FL/FR
9-
decenoic acid
FL/FR
octyl 2-methyl butyrate
FL/FR
octyl butyrate
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
 
Potential Uses:
FRfruit
FRgreen
FRhyacinth
FRmagnolia
FRsweet pea
 
Occurrence (nature, food, other):note
 not found in nature
 
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
 

Articles:

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Notes:
Used as a food additive [EAFUS]
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