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.
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CAS Number: 5468-06-4Picture of molecule3D/inchi
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:
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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:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):5468-06-4 ; 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.
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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 mmHg @ 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
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Organoleptic Properties:
 
Odor Type: floral
 
Odor Strength: medium
 
 floral  sweet  earthy  
Odor Description:
at 100.00 %. 
floral sweet earthy
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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 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: --
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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
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
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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
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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 Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB39841
FooDB: FDB019495
Export Tariff Code: 2911.00.5000
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
 nonanal diethyl acetalFL/FR
balsamic
 brachyleana hutchinsii wood oilFR
caramellic
 propyl pyruvateFL/FR
citrus
2-heptanolFL/FR
earthy
1-octen-3-olFL/FR
ethereal
 ethyl formateFL/FR
fatty
 undecanal propylene glycol acetalFL/FR
floral
isoamyl undecylenateFL/FR
 benzyl alcoholFL/FR
 butyl benzyl etherFL/FR
 citronellalFL/FR
 citronellyl acetateFL/FR
 citronellyl propionateFL/FR
gamma-damasconeFR
(Z)-alpha-damasconeFL/FR
(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
 heliotropyl diethyl acetalFR
 honeysuckle fragranceFR
 honeysuckle specialtyFR
 lilac specialtyFR
 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
bitter orangeflower concrete moroccoFR
 phenethyl acetateFL/FR
 phenethyl anthranilateFL/FR
 phenethyl formateFL/FR
 phenethyl lactateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl salicylateFL/FR
 phenyl acetaldehyde digeranyl acetalFR
 phenyl propyl phenyl acetateFR
(E)-2-phenyl-1(2)-propene-1-yl acetateFR
(Z)-rose oxideFL/FR
laevo-rose oxideFL/FR
 rose pyranFR
 styralyl propionateFL/FR
 tuberose absolute (from concrete)FL/FR
 tuberose absolute (from pommade)FL/FR
2-undecen-1-olFL/FR
(E)-2-undecen-1-olFL/FR
fruity
isobutyl anthranilateFL/FR
 butyl propionateFL/FR
1-isobutyl-2-methyl butyl 2-butenoate 
 cyclohexyl crotonateFR
(E)-alpha-damasconeFL/FR
 strawberry glycidate 2FL/FR
 tropical trithianeFL/FR
fungal
 hydroxymethyl hexyl ethyl ketoneFL/FR
green
isodecanalFL/FR
 earthy acetalFL/FR
 fern absolute 
 geranium absoluteFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
 methyl cyclocitrone (IFF)FR
 octyl oxyacetaldehydeFR
 phenethyl isopropyl etherFR
 phenethyl oxyacetaldehydeFR
 phenethyl tiglateFL/FR
 phenyl acetaldehydeFL/FR
1-phenyl-2-pentanolFL/FR
3,5,5-trimethyl hexanolFL/FR
herbal
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
honey
 phenyl acetic acidFL/FR
leathery
 leather cyclohexanolFR
musk
 musk gx 100%FR
 musk gx 50% in BBFR
 musk gx 50% in DEPFR
 musk gx 50% in IPMFR
naphthyl
ortho-methyl anisoleFL/FR
spicy
 bubble gum fragranceFR
(E)-para-methoxycinnamaldehydeFL/FR
terpenic
(E,E)-2,6-alloocimeneFL/FR
woody
3',4'-dimethoxyacetophenone 
(E)-ethyl geranateFR
10-epi-gamma-eudesmol 
4,6,11-trimethyl-5-oxatricyclo(6.2.2.0*4,9*)dodec-6-eneFR
 
For Flavor
 
No flavor group found for these
isoamyl undecylenateFL/FR
 benzyl disulfideFL
 butyl benzyl etherFL/FR
1-isobutyl-2-methyl butyl 2-butenoate 
(Z)-alpha-damasconeFL/FR
isodecanalFL/FR
(Z)-4-decen-1-yl acetateFL/FR
 earthy acetalFL/FR
10-epi-gamma-eudesmol 
 fern absolute 
(E)-geranyl linaloolFL/FR
 globulol 
 hydroxymethyl hexyl ethyl ketoneFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
2-methyl octanalFL/FR
2-methyl-4-phenyl butanalFL/FR
 nonanal diethyl acetalFL/FR
(E,E)-2,6-alloocimeneFL/FR
 phenethyl lactateFL/FR
 propyl pyruvateFL/FR
 undecanal propylene glycol acetalFL/FR
(E)-2-undecen-1-olFL/FR
2-undecen-1-olFL/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
 phenethyl anthranilateFL/FR
 phenyl acetic acidFL/FR
laevo-rose oxideFL/FR
 tuberose absolute (from concrete)FL/FR
 tuberose absolute (from pommade)FL/FR
fruity
 benzyl alcoholFL/FR
isobutyl anthranilateFL/FR
 butyl propionateFL/FR
(E)-alpha-damasconeFL/FR
2-heptanolFL/FR
 methyl 4-phenyl butyrateFL
 neryl isovalerateFL/FR
1-phenyl-2-pentanolFL/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
 narcissus acetateFL/FR
 phenethyl formateFL/FR
 phenethyl tiglateFL/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
medicinal
 dimethyl benzyl carbinolFL/FR
 phenethyl salicylateFL/FR
mushroom
1-octen-3-olFL/FR
waxy
 nonanolFL/FR
woody
3',4'-dimethoxyacetophenone 
 
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Potential Uses:
 earthFR
 fir 
 floralFR
 orrisFR
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Occurrence (nature, food, other): note
 not found in nature
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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
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