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

cocoa pentenal
4-methyl-2-phenyl-2-pentenal

Sponsors

Name:4-methyl-2-phenylpent-2-enal
CAS Number: 26643-91-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:247-869-4
FDA UNII:ZJ4E916A4U
MDL:MFCD00051834
CoE Number:10366
XlogP3-AA:2.90 (est)
Molecular Weight:174.24278000
Formula:C12 H14 O
NMR Predictor:Predict (works with chrome or firefox)
Name:(E)-4-methyl-2-phenylpent-2-enal
CAS Number: 26643-91-4 (E)Picture of molecule3D/inchi
FDA UNII:GL417RMH5C
Nikkaji Web:J121.847F
XlogP3-AA:2.90 (est)
Molecular Weight:174.24278000
Formula:C12 H14 O
NMR Predictor:Predict (works with chrome or firefox)
Name:(Z)-4-methyl-2-phenylpent-2-enal
CAS Number: 26643-91-4 (Z)Picture of molecule3D/inchi
FDA UNII:4ME89LKG9F
XlogP3-AA:2.90 (est)
Molecular Weight:174.24278000
Formula:C12 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:1473 4-methyl-2-phenyl-2-pentenal
FLAVIS Number:05.100 (Old)
DG SANTE Food Flavourings:05.100 4-methyl-2-phenylpent-2-enal
FEMA Number:3200 4-methyl-2-phenyl-2-pentenal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 4-METHYL-2-PHENYL-2-PENTENAL
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 90.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.97400 to 0.98400 @ 25.00 °C.
Pounds per Gallon - (est).: 8.105 to 8.188
Refractive Index:1.53000 to 1.53800 @ 20.00 °C.
Boiling Point: 82.00 to 87.00 °C. @ 0.70 mm Hg
Boiling Point: 265.00 to 266.00 °C. @ 760.00 mm Hg
Acid Value: 10.00 max. KOH/g
Vapor Pressure:0.010000 mm/Hg @ 20.00 °C.
Vapor Density:6.0 ( Air = 1 )
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 3.554 (est)
Soluble in:
 alcohol
 dipropylene glycol
 water, 93.9 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: chocolate
Odor Strength:medium
Substantivity: > 48 hour(s) at 100.00 %
sweet cocoa nutty rose powdery
Odor Description:at 100.00 %. sweet cocoa nutty rose powdery
Luebke, William tgsc, (1991)
Odor sample from: International Flavors & Fragrances Inc.
sweet floral honey powdery cocoa rose
Odor Description:sweet, floral, honey, powdery and cocoa-like with rosy nuance
Mosciano, Gerard P&F 19, No. 3, 51, (1994)
Flavor Type: floral
floral sweet waxy cocoa honey
Taste Description: at 20.00 ppm. Floral, sweet, waxy and cocoa-like with a honey nuance
Mosciano, Gerard P&F 19, No. 3, 51, (1994)
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
4-METHYL-2-PHENYL-2-PENTENAL ≥90.0% (sum of isomers), Kosher
Odor Description:A distinctive cocoa mocha aroma with honey undertones, and a hint of peony
Imparts sweet, rosy, powdery, honey, and cocoa notes to florals.
Taste Description:Dry, cocoa powder notes, rosy notes of honey
Distinctly cocoa powder, rosy notes for honey.
Frutarom
4-METHYL-2-PHENYL-2-PENTENAL
Odor Description:Cocoa, Floral, Powdery, Sweet.
Suggested Uses: Chocolate, Cocoa, Coffee, Nut, Tea, Vanilla
Taste Description:floral sweet waxy cocoa honey
Treatt
4-Methyl-2-phenyl-2-pentenal NI, Kosher
Odor Description:loral/honey/chocolate
Taste Description:green chocolate
Used in chocolate flavours for bakery and soft confection at 15ppm; in frozen dairy and desserts at 10ppm; and in non-alcoholic beverages at 1ppm
Taytonn
4-Methyl-2-phenyl-2-pentenal
Odor Description:Cocoa, Floral, Powder/ Powdery, Sweet
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Apiscent Labs
4 METHYL 2 PHENYL 2 PENTENAL
Odor: Sour, unripe apple, floral, cocoa
Bedoukian Research
4-METHYL-2-PHENYL-2-PENTENAL
≥90.0% (sum of isomers), Kosher
Odor: A distinctive cocoa mocha aroma with honey undertones, and a hint of peony
Use: Imparts sweet, rosy, powdery, honey, and cocoa notes to florals.
Flavor: Dry, cocoa powder notes, rosy notes of honey
Distinctly cocoa powder, rosy notes for honey.
Beijing Lys Chemicals
4-Methyl-2-phenyl-2-pentenal
BOC Sciences
For experimental / research use only.
4-Methyl-2-phenyl-2-pentenal, mixture of cis and trans
CG Herbals
4-Methyl-2-Phenyl-2-Pentenal
Charkit Chemical
METHYL-2-PHENYL-2-PENTENAL, 4- M2200 FEMA 3200
Endeavour Specialty Chemicals
4-Methyl-2-phenyl-2-pentenal 97% F&F
Speciality Chemical Product Groups
Frutarom
4-METHYL-2-PHENYL-2-PENTENAL
Odor: Cocoa, Floral, Powdery, Sweet.
Use: Suggested Uses: Chocolate, Cocoa, Coffee, Nut, Tea, Vanilla
Lluch Essence
4-METHYL-2-PHENYL-2-PENTENAL 98%
Penta International
4-METHYL-2-PHENYL-2-PENTENAL, Kosher
Robinson Brothers
4-Methyl-2-phenyl-2-pentenal F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
4-Methyl-2-phenyl-2-pentenal, (E)+(Z)
Sigma-Aldrich
4-Methyl-2-phenyl-2-pentenal, mixture of cis and trans, ≥88%, stabilized
Certified Food Grade Products
Synerzine
4-Methyl-2-phenyl-2-pentenal
Taytonn
4-Methyl-2-phenyl-2-pentenal
Odor: Cocoa, Floral, Powder/ Powdery, Sweet
Treatt
4-Methyl-2-phenyl-2-pentenal
NI, Kosher
Odor: loral/honey/chocolate
Flavor: green chocolate
Used in chocolate flavours for bakery and soft confection at 15ppm; in frozen dairy and desserts at 10ppm; and in non-alcoholic beverages at 1ppm
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
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 - Wear suitable protective clothing.
 
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 cocoa pentenal usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.34 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 5.00 (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: 4
 average usual ppmaverage maximum ppm
baked goods: -1.50000
beverages(nonalcoholic): -1.50000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -1.50000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.50000
fruit ices: -1.50000
gelatins / puddings: -1.50000
granulated sugar: --
gravies: --
hard candy: -1.50000
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 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,-unsaturated 2-Phenyl -2-Alkenals from Subgroup 3.3 of FGE.19
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):26643-91-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :540124
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
4-methyl-2-phenylpent-2-enal
Chemidplus:0026643914
(E)-4-methyl-2-phenylpent-2-enal
(Z)-4-methyl-2-phenylpent-2-enal
 
References:
 4-methyl-2-phenylpent-2-enal
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:26643-91-4
Pubchem (cid):540124
Pubchem (sid):39365247
 (E)-4-methyl-2-phenylpent-2-enal
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:26643-91-4
Pubchem (cid):6435914
Pubchem (sid):43029145
 (Z)-4-methyl-2-phenylpent-2-enal
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:26643-91-4
Pubchem (cid):5363896
Pubchem (sid):10334540
 
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):HMDB37281
FooDB:FDB016300
Export Tariff Code:2912.19.9000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
acidic
cyclohexyl acetic acid
FL/FR
animal
methyl (E)-2-octenoate
FL/FR
berry
raspberry ketone methyl ether
FL/FR
cheesy
iso
valeric acid
FL/FR
chocolate
2-
methoxypyrazine
FL/FR
2-
methyl butyraldehyde
FL/FR
fatty
(E,Z,Z)-2,4,7-
tridecatrienal
FL/FR
fermented
valeraldehyde
FL/FR
floral
benzyl acetate
FL/FR
citronellyl phenyl acetate
FL/FR
decyl formate
FR
3,6-
dimethyl-3-octyl acetate
FR
ethyl phenyl acetate
FL/FR
geranyl isobutyrate
FL/FR
geranyl phenyl acetate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hyacinth acetals
FL/FR
hydroxycitronellal
FL/FR
hydroxycitronellol
FL/FR
beta-
naphthyl methyl ketone
FL/FR
phenethyl alcohol
FL/FR
phenethyl benzoate
FL/FR
phenethyl hexanoate
FL/FR
3-
phenyl propyl formate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
iso
propyl phenyl acetate
FL/FR
rhodinyl phenyl acetate
FL/FR
rose acetate
FR
rose butanoate
FL/FR
rose oil (rosa damascena) russia
FL/FR
rose oil (rosa damascena) turkey
FL/FR
sambucus nigra flower oil CO2 extract
FR
fresh
decyl vinyl ether
FR
fruity
cherry oxyacetate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
tropical ionone
FL/FR
green
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
hexyl phenyl acetate
FL/FR
4-
methyl-4-phenyl pentanone
FR
phenyl acetaldehyde ethylene glycol acetal
FR
rosa damascena leaf absolute
FR
herbal
clary sage absolute
FL/FR
american
elder flower absolute
FR
perillaldehyde
FL/FR
honey
methyl phenyl acetate
FL/FR
phenyl acetic acid
FL/FR
propyl phenyl acetate
FL/FR
musty
cocoa butenal
FL/FR
nutty
2-
methyl pyrazine
FL/FR
2,3,5-
trimethyl pyrazine
FL/FR
roasted
trigonella foenum-graecum seed oil CO2 extract
FL/FR
spicy
cinnamyl acetate
FL/FR
iso
eugenyl phenyl acetate
FL/FR
sweet
beeswax absolute replacer
FR
waxy
ethyl myristate
FL/FR
ethyl octanoate
FL/FR
1-
undecanol
FL/FR
woody
santalyl butyrate
FL/FR
santalyl phenyl acetate
FL/FR
For Flavor
No flavor group found for these
1-
acetyl cyclohexyl acetate
FL
2(4)-iso
butyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine
FL
4,5-
dimethyl-2-ethyl thiazole
FL
2-
methoxypyrazine
FL/FR
3-
phenyl propyl formate
FL/FR
santalyl butyrate
FL/FR
santalyl phenyl acetate
FL/FR
aldehydic
aldehydic
1-
undecanol
FL/FR
aromatic
hyacinth acetals
FL/FR
berry
raspberry ketone methyl ether
FL/FR
bitter
(E,Z,Z)-2,4,7-
tridecatrienal
FL/FR
cheesy
iso
valeric acid
FL/FR
cocoa
cocoa distillates
FL
floral
citronellyl phenyl acetate
FL/FR
geranyl isobutyrate
FL/FR
geranyl phenyl acetate
FL/FR
methyl phenyl acetate
FL/FR
beta-
naphthyl methyl ketone
FL/FR
phenethyl alcohol
FL/FR
phenethyl benzoate
FL/FR
phenyl acetic acid
FL/FR
rose oil (rosa damascena) russia
FL/FR
rose oil (rosa damascena) turkey
FL/FR
tropical ionone
FL/FR
fruity
benzyl acetate
FL/FR
cherry oxyacetate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
hexyl phenyl acetate
FL/FR
methyl (E)-2-octenoate
FL/FR
rose butanoate
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
fusel
2-
methyl butyraldehyde
FL/FR
green
clary sage absolute
FL/FR
cocoa butenal
FL/FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
honey
ethyl phenyl acetate
FL/FR
propyl phenyl acetate
FL/FR
iso
propyl phenyl acetate
FL/FR
musty
2,3,5-
trimethyl pyrazine
FL/FR
nutty
2,4-
dimethyl-5-vinyl thiazole
FL
2-
methyl pyrazine
FL/FR
powdery
hydroxycitronellol
FL/FR
roasted
trigonella foenum-graecum seed oil CO2 extract
FL/FR
spicy
cinnamyl acetate
FL/FR
iso
eugenyl phenyl acetate
FL/FR
perillaldehyde
FL/FR
sweet
cyclohexyl acetic acid
FL/FR
waxy
ethyl myristate
FL/FR
ethyl octanoate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hydroxycitronellal
FL/FR
phenethyl hexanoate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
rhodinyl phenyl acetate
FL/FR
winey
valeraldehyde
FL/FR
 
Potential Uses:
FLbakery
FLbeverage
 chocolate cocoa
FRcoffee
 confection
FLdairy
FRfilbert
 fruit dried fruit
FRhay new mown hay
FRhoney
FLmacadamia
FLpeanut
FLpotato chip
FRtea green tea
FRvanilla
 
Occurrence (nature, food, other):note
 cocoa
Search Trop Picture
 filbert roasted filbert
Search Trop Picture
 macadamia nut
Search Trop Picture
 malt
Search PMC Picture
 mint oils
Search Trop Picture
 peanut
Search Trop Picture
 potato chip
Search PMC Picture
 potato fried potato
Search Trop Picture
 sesame seed
Search Trop Picture
 tea
Search Trop Picture
 
Synonyms:
 benzeneacetaldehyde, a-(2-methylpropylidene)-
alpha-isobutylidene benzene acetaldehyde
alpha-isobutylidenebenzeneacetaldehyde
 cocoa pentenal
 eglantal
4 methyl 2 phenyl 2 pentenal
alpha-(2-methyl propylidene) benzene acetaldehyde
4-methyl-2-phenyl pent-2-enal
4-methyl-2-phenyl-2-penten-1-al
4-methyl-2-phenyl-2-pentenal
4-methyl-2-phenyl-4-pentenal
4-methyl-2-phenylpent-2-enal
alpha-(2-methylpropylidene)benzeneacetaldehyde
2-pentenal, 4-methyl-2-phenyl-
 
 
Notes:
Present in aroma volatiles of roast filbert, tea, peppermint and krill seasoning. Ingredient of cocoa and chocolate-type flavours.
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy