cumin acetaldehyde
p-isopropylphenylacetaldehyde
 
Notes:
Used in perfumery and food flavouring
  • BOC Sciences
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      Product(s):
      4395-92-0 (4-isopropylphenyl)acetaldehyde
       
  • CSA
  • Synerzine
    • Synerzine, Inc.
      Innovation. Customization. Aroma Ingredients.
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      Product(s):
      W0936 P-ISOPROPYL PHENYLACETALDEHYDE
       
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CAS Number: 4395-92-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 224-522-5
FDA UNII: 5KQW56W3YJ
Nikkaji Web: J14.563G
Beilstein Number: 2246668
MDL: MFCD00217008
CoE Number: 132
XlogP3-AA: 2.40 (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: 1024  p-isopropylphenylacetaldehyde
DG SANTE Food Flavourings: 05.044  p-isopropyl phenylacetaldehyde
FEMA Number: 2954 p-isopropylphenylacetaldehyde
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):4395-92-0 ; P-ISOPROPYLPHENYLACETALDEHYDE
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: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.99500 @  25.00 °C.
Refractive Index: 1.52000 @  20.00 °C.
Boiling Point: 230.00 to  243.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.020000 mmHg @ 20.00 °C.
Flash Point: > 200.00 °F. TCC ( > 93.33 °C. )
logP (o/w): 3.054 (est)
Soluble in:
 alcohol
 water, very slightly
 water, 184 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 alkalis
Similar Items: note
para-anisyl acetaldehyde
cuminyl acetaldehyde
lilac acetaldehyde
mercaptoacetaldehyde
phenoxyacetaldehyde 50% in benzyl alcohol
phenoxyacetaldehyde 50% in peomosa
phenyl acetaldehyde
pinoacetaldehyde
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Organoleptic Properties:
 
Odor Type: green
 
Odor Strength: high ,
recommend smelling in a 10.00 % solution or less
 
Substantivity: 256 hour(s) at 100.00 %
 
 earthy  aldehydic  cumin  green  cortex  foliage  
Odor Description:
at 10.00 % in dipropylene glycol. 
earthy fern aldehydic cumin green cortex
Luebke, William tgsc, (1984)
 
 
Flavor Type: green
 
 green  foliage  privet  cortex  aldehydic  cumin  earthy  weedy  
Taste Description:
green foliage privet cortex aldehydic cumin earthy weedy
Luebke, William tgsc, (1984)
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
BOC Sciences
For experimental / research use only.
(4-isopropylphenyl)acetaldehyde
Matrix Scientific
For experimental / research use only.
(4-isoPropylphenyl)acetaldehyde, 95%
Synerzine
P-ISOPROPYL PHENYLACETALDEHYDE
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 22 - Harmful if swallowed.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
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.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50  4100 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 533, 1979.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 533, 1979.

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for cumin acetaldehyde usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.061 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.01 (μg/capita/day)
Structure Class: I
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: -0.50000
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:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of phenethyl alcohol, aldehydes, acids, and related acetals and esters used as flavor ingredients. View pdf
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):
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to: Flavouring Group Evaluation 14 (FGE.14): Phenethyl alcohol, aldehyde, esters, and related phenylacetic acid esters from chemical group 15 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
Flavouring Group Evaluation 53 (FGE.53): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and one phenoxyethyl ester evaluated in FGE.23 (2006) (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
Flavouring Group Evaluation 14, Revision 1 (FGE.14Rev1): Phenethyl alcohol, aldehyde, acetals, carboxylic acid and related esters from chemical group 15 and 22 [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Flavouring Group Evaluation 53, Revision 1 (FGE.53Rev1): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) FGE.23Rev1 (2008)
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 4395-92-0
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 61359
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 2-(4-propan-2-ylphenyl)acetaldehyde
Chemidplus: 0004395920
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References:
 2-(4-propan-2-ylphenyl)acetaldehyde
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 4395-92-0
Pubchem (cid): 61359
Pubchem (sid): 135018181
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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): HMDB41493
FooDB: FDB021463
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
 octane nitrileFR
balsamic
 bornyl formateFL/FR
 hexyl cinnamateFR
 propyl cinnamateFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
caramellic
2-isobutyl-3-methyl pyrazineFL/FR
citrus
 tetrahydrocitralFL/FR
coconut
delta-heptalactoneFL/FR
earthy
5-cyclopropyl-3(or 2),4-dimethyl octahydro-4,7-methanoinden-5-ol 
1-nonen-3-olFL/FR
1-octen-3-olFL/FR
fatty
(Z)-3-octen-1-olFL/FR
floral
 anisyl propanal / methyl anthranilate schiff's baseFR
 cumin carbinolFR
 dihydrocarvyl acetateFL/FR
 dimethyl benzyl carbinolFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
 geranium dihydropyranFR
 lilyallFR
 linalool oxideFL/FR
 ocean propanal / methyl anthranilate schiff's baseFR
 octyl acetateFL/FR
bitter orangeflower absolute moroccoFL/FR
2-pentyl cyclopentanoneFR
 phenyl acetaldehyde diisobutyl acetalFL/FR
2-phenyl propyl acetateFL/FR
 propyl anthranilateFL/FR
isopropyl phenyl acetateFL/FR
 rose absolute (rosa damascena) bulgariaFL/FR
laevo-rose oxideFL/FR
(R)-styralyl alcoholFL/FR
 ylang ylang flower oil IIIFL/FR
fruity
 amyl formateFL/FR
2-pentyl furanFL/FR
 tropical trithianeFL/FR
green
2-isobutyl thiazoleFL/FR
(S)-2-sec-butyl-3-methoxypyrazine 
(R)-2-sec-butyl-3-methoxypyrazine 
 cilantro leaf oilFL/FR
homocuminic aldehydeFR
isocyclocitral (IFF)FL/FR
alpha,alpha-dimethyl benzyl alcoholFL/FR
 fern absolute 
 ferula galbaniflua gum extractFL/FR
 galbanum resinoid replacerFR
 geranium absoluteFL/FR
 green carbaldehydeFR
 green fragranceFR
 green specialtyFR
(Z)-3-hepten-1-olFL/FR
(Z)-3-hexen-1-yl acetoacetateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
(R)-1-hexen-3-ol 
(S)-1-hexen-3-ol 
3-hexenalFL/FR
3,6-ivy carbaldehydeFL/FR
2,4-ivy carbaldehydeFL/FR
3,5-ivy carbaldehydeFL/FR
 ivy carbaldehydeFL/FR
 ivy dioxolaneFR
english ivy leaf absoluteFR
 leafy oximeFR
 narcissus flower absoluteFR
 octanal dimethyl acetalFL/FR
 phenethyl acetalFR
 phenoxyacetaldehyde 50% in benzyl alcoholFR
3-phenyl propionaldehydeFL/FR
1-phenyl-2-pentanolFL/FR
isopropyl quinolineFR
 rose furan epoxideFL/FR
3,5,5-trimethyl hexanolFL/FR
2,4,8-trimethyl-5-oxatricyclo(6.2.1.0*2,6*)undecaneFR
1,5-undecadien-4-ol 
herbal
 carrot seed oil (daucus carota ssp. gummifer hook. fil.) spainFR
 celery ketoneFL/FR
 celery undeceneFR
2-cyclohexyl cyclohexanoneFR
 daucus carota fruit oilFL/FR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
 mistletoe absolute 
 nonisyl acetateFR
 perillaldehydeFL/FR
medicinal
summer savory oilFL/FR
nutty
5-ethyl-4-methyl thiazole 
spicy
(E)-cinnamyl nitrileFR
 cumin seed absoluteFL/FR
 cumin seed oilFL/FR
 cuminaldehydeFL/FR
 cuminyl alcoholFL/FR
 cuminyl nitrileFR
4-isopropyl-2-cyclohexenoneFL/FR
(±)-1,2,5,6-tetrahydrocuminic acidFL/FR
waxy
 allyl nonanoateFL/FR
 octyl isobutyrateFL/FR
woody
3(or 2),4-dimethyl-5-vinyl octahydro-4,7-methanoinden-5-ol 
5,5a,6,7,8,8a-hexahydro-6,6,7,8,8-pentamethyl-4H-indeno[5,4-D]isoxazole 
 
For Flavor
 
No flavor group found for these
 benzyl disulfideFL
 bornyl formateFL/FR
(S)-2-sec-butyl-3-methoxypyrazine 
(R)-2-sec-butyl-3-methoxypyrazine 
5-cyclopropyl-3(or 2),4-dimethyl octahydro-4,7-methanoinden-5-ol 
alpha,alpha-dimethyl benzyl alcoholFL/FR
3(or 2),4-dimethyl-5-vinyl octahydro-4,7-methanoinden-5-ol 
5-ethyl-4-methyl thiazole 
 fern absolute 
(Z)-3-hepten-1-olFL/FR
5,5a,6,7,8,8a-hexahydro-6,6,7,8,8-pentamethyl-4H-indeno[5,4-D]isoxazole 
(Z)-3-hexen-1-yl acetoacetateFL/FR
(S)-1-hexen-3-ol 
(R)-1-hexen-3-ol 
3,5-ivy carbaldehydeFL/FR
 ivy carbaldehydeFL/FR
 mistletoe absolute 
2-phenyl propyl acetateFL/FR
 propyl anthranilateFL/FR
4-isopropyl-2-cyclohexenoneFL/FR
 rose furan epoxideFL/FR
(R)-styralyl alcoholFL/FR
 tetrahydrocitralFL/FR
(±)-1,2,5,6-tetrahydrocuminic acidFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
1,5-undecadien-4-ol 
camphoreous
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
citrus
 cilantro leaf oilFL/FR
creamy
 octyl isobutyrateFL/FR
earthy
1-nonen-3-olFL/FR
fatty
(Z)-3-octen-1-olFL/FR
floral
 dihydrocarvyl acetateFL/FR
bitter orangeflower absolute moroccoFL/FR
 rose absolute (rosa damascena) bulgariaFL/FR
laevo-rose oxideFL/FR
 ylang ylang flower oil IIIFL/FR
fruity
 amyl formateFL/FR
1-phenyl-2-pentanolFL/FR
 propyl cinnamateFL/FR
 tropical trithianeFL/FR
green
2-isobutyl thiazoleFL/FR
2-isobutyl-3-methyl pyrazineFL/FR
 celery ketoneFL/FR
isocyclocitral (IFF)FL/FR
 ferula galbaniflua gum extractFL/FR
 geranium absoluteFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
3-hexenalFL/FR
 horseradish oilFL
3,6-ivy carbaldehydeFL/FR
2,4-ivy carbaldehydeFL/FR
 linalool oxideFL/FR
 octanal dimethyl acetalFL/FR
2-pentyl furanFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
 propylene glycol acetone ketalFL
3,5,5-trimethyl hexanolFL/FR
herbal
 daucus carota fruit oilFL/FR
honey
isopropyl phenyl acetateFL/FR
lactonic
delta-heptalactoneFL/FR
medicinal
 dimethyl benzyl carbinolFL/FR
summer savory oilFL/FR
mushroom
1-octen-3-olFL/FR
spicy
 cumin oleoresinFL
 cumin seed absoluteFL/FR
 cumin seed oilFL/FR
 cuminaldehydeFL/FR
 cuminyl alcoholFL/FR
 perillaldehydeFL/FR
winter savory oilFL
waxy
 allyl nonanoateFL/FR
 octyl acetateFL/FR
 
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Potential Uses:
 arrackFL
 barkFR
 cortexFR
 cucumberFR
 earthFR
 fernFR
 foliageFR
 greenFR
 green grassFR
 leaf 
 lemonFR
 lettuceFL
 melonFR
 orangeFR
 privetFR
 stem 
 woodruffFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 acetaldehyde, (p-isopropylphenyl)-
 benzeneacetaldehyde, 4-(1-methylethyl)-
 cortexal
 cumin acetaldehyde
homocumin aldehyde
 cuminacetaldehyde
 cuminic acetaldehyde
 cumyl acetaldehyde
 cumylacetaldehyde
p-cymen-7-carboxaldehyde
p-cymene-7-carboxaldehyde
para-cymene-7-carboxaldehyde
4-(1-methyl ethyl) benzene acetaldehyde
4-(1-methylethyl) benzeneacetaldehyde
4-(1-methylethyl)benzeneacetaldehyde
2-[4-(methylethyl)phenyl]ethanal
2-(4-propan-2-ylphenyl)acetaldehyde
4-isopropyl phenyl acetaldehyde
para-isopropyl phenyl acetaldehyde
4-isopropyl phenylacetaldehyde
p-isopropyl phenylacetaldehyde
para-isopropyl phenylacetaldehyde
(4-isopropylphenyl)acetaldehyde
4-isopropylphenylacetaldehyde
p-isopropylphenylacetaldehyde
isopropylphenylacetaldehyde, p-
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