phenyl acetaldehyde 2,3-butylene glycol acetal
phenylacetaldehyde 2,3-butylene glycol acetal
 
Notes:
Flavouring ingredient for baked goods, puddings, candies and nonalcoholic beverages Tiaprofenic acid is a non-steroidal anti-inflammatory drug of the arylpropionic acid (profen) class, used to treat pain, especially arthritic pain. The typical adult dose is 300mg twice daily. It is not recommended in children.
Synonyms   Articles   Notes   Search
4,5-dimethyl-2-(phenylmethyl)-1,3-dioxolane (Click)
CAS Number: 5468-06-4Picture of molecule
Nikkaji Web: J1.536.383E
CoE Number: 669
XlogP3-AA: 2.70 (est)
Molecular Weight: 192.25792000
Formula: C12 H16 O2
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: According to the JECFA: Min. assay value is "93 %" and secondary components "butane-2,3-diol". Racemate. Secondary component: butane-2,3-diol (2-3 %) (EFFA, 2010a).
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
IBM Patents: Obtain
Pubchem Patents: Search
JECFA Food Flavoring: 1005  phenylacetaldehyde 2,3-butylene glycol acetal
Flavis Number: 06.027 (Old)
DG SANTE Food Flavourings: 06.027  4,5-dimethyl-2-benzyl-1,3-dioxolane
FEMA Number: 2875  phenylacetaldehyde 2,3-butylene glycol acetal
FDA Mainterm: PHENYLACETALDEHYDE 2,3-BUTYLENE GLYCOL ACETAL
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.
Synonyms   Articles   Notes   Search   Top
Physical Properties:
Appearance: colorless clear viscous liquid (est)
Assay: 93.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.03000 to 1.04000 @  25.00 °C.
Pounds per Gallon - (est).: 8.571 to  8.654
Refractive Index: 1.49600 to 1.51200 @  20.00 °C.
Boiling Point: 263.00 to  264.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.016000 mm/Hg @ 25.00 °C. (est)
Flash Point: 243.00 °F. TCC ( 117.22 °C. )
logP (o/w): 2.659 (est)
Soluble in:
 alcohol
 water, 259.6 mg/L @ 25 °C (est)
Insoluble in:
 water
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
Odor Type: floral
Odor Strength: medium
 floral  sweet  earthy  
Odor Description:
at 100.00 %. 
floral sweet earthy
  
Synonyms   Articles   Notes   Search   Top
Cosmetic Information:
None found
Synonyms   Articles   Notes   Search   Top
Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for phenyl acetaldehyde 2,3-butylene glycol acetal usage levels up to:
  1.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 1.00 (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): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -4.00000
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: --
Synonyms   Articles   Notes   Search   Top
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
Scientific Opinion on Flavouring Group Evaluation 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87.
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 230525
National Institute of Allergy and Infectious Diseases: Data
 4,5-dimethyl-2-(phenylmethyl)-1,3-dioxolane
Chemidplus: 0005468064
Synonyms   Articles   Notes   Search   Top
References:
 4,5-dimethyl-2-(phenylmethyl)-1,3-dioxolane
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 5468-06-4
Pubchem (cid): 230525
Pubchem (sid): 135263461
Synonyms   Articles   Notes   Search   Top
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): HMDB39841
FooDB: FDB019495
Export Tariff Code: 2911.00.5000
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
aldehydic
 nonanal diethyl acetalFL/FR
earthy
1-octen-3-olFL/FR
ethereal
 ethyl formateFL/FR
floral
isoamyl undecylenateFL/FR
 benzyl alcoholFL/FR
 butyl benzyl etherFL/FR
 citronellalFL/FR
 citronellyl acetateFL/FR
 citronellyl propionateFL/FR
(Z)-alpha-damasconeFL/FR
gamma-damasconeFR
(Z)-4-decen-1-yl acetateFL/FR
 dihydrocarvyl acetateFL/FR
 dimethyl benzyl carbinolFL/FR
 farnesyl acetateFL/FR
 floral pyranFR
 geranyl acetateFL/FR
 geranyl formateFL/FR
(E)-geranyl linaloolFL/FR
 globulol 
 hawthorn ethanolFR
 linalool oxideFL/FR
2-methyl octanalFL/FR
2-methyl-4-phenyl butanalFL/FR
 muguet carbinolFL/FR
 musk acetateFR
 narcissus acetateFL/FR
 neryl acetateFL/FR
 neryl isovalerateFL/FR
 nonanolFL/FR
 phenethyl acetateFL/FR
 phenethyl anthranilateFL/FR
 phenethyl formateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl salicylateFL/FR
 phenyl acetaldehyde digeranyl acetalFR
 phenyl propyl phenyl acetateFR
(Z)-rose oxideFL/FR
laevo-rose oxideFL/FR
 rose pyranFR
 styralyl propionateFL/FR
(E)-2-undecen-1-olFL/FR
2-undecen-1-olFL/FR
fruity
 butyl propionateFL/FR
(E)-alpha-damasconeFL/FR
 strawberry glycidate 2FL/FR
 tropical trithianeFL/FR
green
isodecanalFL/FR
 earthy acetalFL/FR
 fern absolute 
 geranium absoluteFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 methyl cyclocitrone (IFF)FR
 phenethyl isopropyl etherFR
 phenethyl oxyacetaldehydeFR
 phenethyl tiglateFL/FR
 phenyl acetaldehydeFL/FR
3,5,5-trimethyl hexanolFL/FR
herbal
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
honey
 phenyl acetic acidFL/FR
leathery
 leather cyclohexanolFR
naphthyl
ortho-methyl anisoleFL/FR
woody
(E)-ethyl geranateFR
 
For Flavor
 
No flavor group found for these
isoamyl undecylenateFL/FR
 benzyl disulfideFL
 butyl benzyl etherFL/FR
(Z)-alpha-damasconeFL/FR
isodecanalFL/FR
(Z)-4-decen-1-yl acetateFL/FR
 dimethyl benzyl carbinolFL/FR
 earthy acetalFL/FR
 fern absolute 
(E)-geranyl linaloolFL/FR
 globulol 
2-methyl octanalFL/FR
2-methyl-4-phenyl butanalFL/FR
 narcissus acetateFL/FR
 nonanal diethyl acetalFL/FR
 phenethyl anthranilateFL/FR
 phenethyl formateFL/FR
 phenethyl salicylateFL/FR
2-undecen-1-olFL/FR
(E)-2-undecen-1-olFL/FR
aldehydic
 nonanolFL/FR
camphoreous
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
ortho-methyl anisoleFL/FR
citrus
 styralyl propionateFL/FR
ethereal
 ethyl formateFL/FR
floral
 citronellalFL/FR
 citronellyl acetateFL/FR
 citronellyl propionateFL/FR
 dihydrocarvyl acetateFL/FR
 farnesyl acetateFL/FR
 muguet carbinolFL/FR
 neryl acetateFL/FR
 phenyl acetic acidFL/FR
laevo-rose oxideFL/FR
fruity
 benzyl alcoholFL/FR
 butyl propionateFL/FR
(E)-alpha-damasconeFL/FR
 neryl isovalerateFL/FR
 strawberry glycidate 2FL/FR
 tropical trithianeFL/FR
green
 geranium absoluteFL/FR
 geranyl acetateFL/FR
 geranyl formateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 linalool oxideFL/FR
 propylene glycol acetone ketalFL
(Z)-rose oxideFL/FR
3,5,5-trimethyl hexanolFL/FR
honey
 phenethyl acetateFL/FR
 phenethyl phenyl acetateFL/FR
 phenyl acetaldehydeFL/FR
mushroom
1-octen-3-olFL/FR
sweet
 phenethyl tiglateFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 earth humusFR
 fir 
 floralFR
 orris irisFR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 not found in nature
Synonyms   Articles   Notes   Search   Top
Synonyms:
2-benzyl-4,5-dimethyl-1,3-dioxolane
4,5-dimethyl-2-(phenyl methyl)-1,3-dioxolane
4,5-dimethyl-2-(phenylmethyl)-1,3-dioxolane
4,5-dimethyl-2-benzyl-1,3-dioxolane
1,3-dioxolane, 4,5-dimethyl-2-(phenylmethyl)-
 phenylacetaldehyde 2,3-butylene glycol acetal
 phenylacetaldehyde 2,3-butyleneglycol acetal
Synonyms   Articles   Notes   Search   Top
Articles:
 None found yet.
Synonyms   Articles   Notes   Search   Top
Please share your Comments.
Email Address:
 
 
 
 
Top of Page Home
Copyright © 1980-2017 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy