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

phenyl acetaldehyde diisobutyl acetal
phenylacetaldehyde diisobutyl acetal

Sponsors

Name:2,2-bis(2-methylpropoxy)ethylbenzene
CAS Number: 68345-22-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:269-851-5
FDA UNII:M7DD3LIZ6U
Nikkaji Web:J349.362H
CoE Number:595
XlogP3-AA:4.70 (est)
Molecular Weight:250.38162000
Formula:C16 H26 O2
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:1006 phenylacetaldehyde diisobutyl acetal
FLAVIS Number:06.024 (Old)
DG SANTE Food Flavourings:06.024 1,1-diisobutoxy-2-phenylethane
FEMA Number:3384 phenylacetaldehyde diisobutyl acetal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: PHENYLACETALDEHYDE DIISOBUTYL ACETAL
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 240.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.002000 mm/Hg @ 25.00 °C. (est)
Flash Point: 200.00 °F. TCC ( 93.33 °C. )
logP (o/w): 4.437 (est)
Soluble in:
 alcohol
 water, very slightly
 water, 2.149 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 alkalis
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
Substantivity:40 hour(s) at 100.00 %
sweet green floral almond rose cortex
Odor Description:at 100.00 %. sweet green floral almond rose cortex
Luebke, William tgsc, (1984)
Odor sample from: Nickstadt Moeller, Inc.
sweet honey brown floral cocoa fruit dried fruit powdery
Odor Description:Sweet, honey, brown, floral, cocoa, dried fruit with powdery nuances
Mosciano, Gerard P&F 16, No. 5, 71, (1991)
Flavor Type: green
green cocoa cortex tropical narcissus almond honey phenolic
Taste Description: sweet green cocoa cortex tropical narcissus almond honey phenolic
sweet honey brown floral
Taste Description: at 35.00 ppm. Sweet, honey, brown, floral
Mosciano, Gerard P&F 16, No. 5, 71, (1991)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
Phenylacetaldehyde diisobutyl acetal
BOC Sciences
For experimental / research use only.
PHENYL ACETALDEHYDE DIISOBUTYL ACETAL 98.0%
CG Herbals
Phenyl Acetaldehyde Di Iso Butyl Acetate
Inoue Perfumery
PHENYL ACETALDEHYDE DIISOBUTYL ACETAL
M&U International
PHENYLACETALDEHYDE DIISOBUTYL ACETAL, Kosher
Penta International
PHENYL ACETALDEHYDE DIISOBUTYL ACETAL, Kosher
 
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 phenyl acetaldehyde diisobutyl acetal usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 27.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.40 (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: 6
 average usual ppmaverage maximum ppm
baked goods: -50.00000
beverages(nonalcoholic): -10.00000
beverages(alcoholic): -25.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -30.00000
fruit ices: -30.00000
gelatins / puddings: -50.00000
granulated sugar: --
gravies: --
hard candy: -75.00000
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: --
 
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):

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):68345-22-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :71544
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2,2-bis(2-methylpropoxy)ethylbenzene
Chemidplus:0068345222
 
References:
 2,2-bis(2-methylpropoxy)ethylbenzene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:68345-22-2
Pubchem (cid):71544
Pubchem (sid):135030213
 
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):HMDB37712
FooDB:FDB016840
Export Tariff Code:2911.00.5000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
acidic
cyclohexyl acetic acid
FL/FR
aldehydic
iso
butyraldehyde
FL/FR
6,7,8-
decen-1-ol
FR
dodecanal (aldehyde C-12 lauric)
FL/FR
3-
methyl-4-hexyl oxybutyraldehyde
FR
animal
para-
cresyl phenyl acetate
FL/FR
anisic
para-
anisyl phenyl acetate
FL/FR
balsamic
cinnamyl formate
FL/FR
caramellic
immortelle absolute
FL/FR
cereal
bran absolute
FR
chocolate
cocoa pentenal
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
citrus
bergamot oil
FL/FR
bergamot oil bergaptene reduced italy
FL/FR
bergamot oil turkey
FL/FR
citral dimethyl acetal
FL/FR
citrus floral green fragrance
FR
2,4-
dimethyl-3-cyclohexene-1-methanyl acetate
FR
nonanal dimethyl acetal
FL/FR
(E)-2-
tetradecenal
FL/FR
2-
tetradecenal
FL/FR
fatty
2-
decenal
FL/FR
methyl (E)-2-hexenoate
FL/FR
fermented
3-
methyl-1-pentanol
FL/FR
floral
acetaldehyde dibutyl acetal
FL/FR
amyl benzoate
FL/FR
amyl salicylate
FL/FR
anisyl propanal / methyl anthranilate schiff's base
FR
boronia concrete
FL/FR
alpha-
butyl cinnamaldehyde
FL/FR
cardamom absolute
FL/FR
citronellyl acetate
FL/FR
citronellyl phenyl acetate
FL/FR
citronellyl propionate
FL/FR
citronellyl valerate
FL/FR
coriander seed oil CO2 extract
FL/FR
cumin carbinol
FR
dictamnus hispanicus oil
FR
dihydrocarvyl acetate
FL/FR
(±)-2,3-
dihydrofarnesol
FL/FR
dihydroisojasmonate methyl ester
FR
dimethyl benzyl carbinol
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
6,8-
dimethyl-2-nonanol
FR
ethyl hydrocinnamate
FL/FR
ethyl phenoxyacetate
FR
ethyl phenyl acetate
FL/FR
farnesol
FL/FR
farnesyl acetate
FL/FR
floral butanal
FR
floral undecenone
FR
gardenia absolute
FR
gardenia acetal
FR
gardenia concrete
FR
geranium oil
FL/FR
geranium oil africa
FL/FR
geranyl acetone
FL/FR
geranyl formate
FL/FR
geranyl nonanoate
CS
geranyl phenyl acetate
FL/FR
(Z)-4-
hepten-2-yl salicylate
FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hexyl lactate
FL/FR
hyacinth acetals
FL/FR
hyacinth oil
FR
hydrangea fragrance
FR
hydroxycitronellal diethyl acetal
FL/FR
hydroxycitronellal propylene glycol acetal
FL/FR
(E)-beta-
ionone
FL/FR
jasmin cyclopentanol
FR
jonquil absolute
FR
kewda oil
CS
lilac absolute
FR
lily fragrance
FR
lily propanol
FR
linalyl phenyl acetate
FL/FR
lotus fragrance
FR
magnolia indene
FR
(2-
methoxy-1-methyl propyl) benzene
FR
(3-
methoxy-2-methyl propyl) benzene
FR
1-(2-
methyl allyl oxy)-2-methyl butane
FR
beta-iso
methyl ionone
FL/FR
mimosa absolute
FL/FR
mimosa absolute france
FL/FR
mimosa absolute india
FL/FR
nerol
FL/FR
neroli oil CO2 extract
FL/FR
nerolidol
FL/FR
(E)-
nerolidol
FL/FR
ocean propanal
FL/FR
ocean propanal / methyl anthranilate schiff's base
FR
octyl isovalerate
FL/FR
orange leaf absolute
FL/FR
bitter
orangeflower absolute morocco
FL/FR
bitter
orangeflower absolute tunisia
FL/FR
orchid specialty
FR
orris rhizome resinoid (iris pallida)
FL/FR
papaya isobutyrate
FL/FR
phenethyl acetate
FL/FR
phenethyl anthranilate
FL/FR
phenethyl benzoate
FL/FR
phenethyl phenyl acetate
FL/FR
phenethyl propionate
FL/FR
phenyl acetaldehyde dicitronellyl acetal
FR
phenyl glycol diacetate
FR
2-
phenyl propionaldehyde ethylene glycol acetal
FR
3-
phenyl propyl formate
FL/FR
iso
propyl anthranilate
FL/FR
iso
propyl phenyl acetate
FL/FR
rhodinyl formate
FL/FR
rhodinyl phenyl acetate
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
rose butanoate
FL/FR
rose carboxylate
FR
rose concrete (rosa centifolia)
FR
(Z)-
rose oxide
FL/FR
laevo-
rose oxide
FL/FR
rose pyran
FR
styralyl formate
FL/FR
sweet pea absolute
FR
terpinyl isobutyrate
FL/FR
5-
tricyclodecenyl acetate
FR
(S,E)-3,7,11-
trimethyldodeca-6,10-dienal
FR
verdyl acetate
FR
violet methyl carbonate
FR
wallflower absolute
FR
ylang ylang flower oil III
FL/FR
fresh
3-(3-
propen-2-yl phenyl) butanal
FR
fruity
benzyl methyl ether
FL/FR
citronellyl isobutyrate
FL/FR
cyclohexyl crotonate
FR
(E)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
dimethyl succinate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
osmanthus flower absolute
FL/FR
peach pivalate
FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
tropical ionone
FL/FR
fungal
jasmin nonane
FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
benzaldehyde dimethyl acetal
FL/FR
iso
butyl benzyl carbinol
FL/FR
chrysanthemum oxide
FL/FR
3,7-
dimethyl-6-octenoic acid
FL/FR
earthy acetal
FL/FR
flower hexene
FR
green cyclopropionate
FR
(Z)-3-
hexen-1-yl acetoacetate
FL/FR
(Z)-3-
hexen-1-yl angelate
FR
hexen-1-yl oxypropane nitrile
FR
(E)-2-
hexen-1-yl phenyl acetate
FL/FR
hexyl (Z)-tiglate
FL/FR
hyacinth absolute
FL/FR
ivy dioxolane
FR
(2-
methoxy-1-methyl butyl) benzene
FR
[(4E,4Z)-5-
methoxy-3-methyl-4-penten-1-yl] benzene
FR
methyl cyclocitrone (IFF)
FR
para-
methyl hydratropaldehyde
FL/FR
methyl octine carbonate
FL/FR
4-
methyl-4-phenyl pentanone
FR
octyl oxyacetaldehyde
FR
pelargonium graveolens stem leaf extract
FR
phenethyl acetal
FR
phenyl acetaldehyde
FL/FR
phenyl acetaldehyde solution
FL/FR
herbal
artemisyl ketone
FL/FR
chrysanthemum ketone
FR
clary sage absolute
FL/FR
coriander oleoresin
FL/FR
dihexyl (E)-fumarate
FR
american
elder flower absolute
FR
linalyl acetate
FL/FR
2-
methyl butyl salicylate
FL/FR
(1S,5R)-
myrtenyl acetate
FL/FR
phenyl acetaldehyde diisoamyl acetal
FR
honey
butyl phenyl acetate
FL/FR
methyl phenyl acetate
FL/FR
phenyl pyruvic acid
FL/FR
medicinal
kunzea ericoides leaf oil
FR
musk
ethylene brassylate
FL/FR
musty
cocoa butenal
FL/FR
nutty
2,3,5-
trimethyl pyrazine
FL/FR
phenolic
methyl benzoate
FL/FR
spicy
carnation absolute
FR
cinnamyl propionate
FL/FR
iso
cyclogeraniol (IFF)
FR
eugenyl phenyl acetate
FL/FR
iso
eugenyl phenyl acetate
FL/FR
honey extract
CS
spicy carbonate
FR
tea
camellia oleifera leaf extract
FL/FR
thujonic
cistus cyclohexanone
FL/FR
tobacco
honey absolute
FL/FR
waxy
3-
decanone
FL/FR
dihydrocitronellyl acetate
FL/FR
1-
dodecanol
FL/FR
methyl butyl phenyl acetate
FL/FR
phenethyl octanoate
FL/FR
waxy acetate
FR
For Flavor
No flavor group found for these
acetaldehyde dibutyl acetal
FL/FR
1-
acetyl cyclohexyl acetate
FL
amyl benzoate
FL/FR
artemisyl ketone
FL/FR
boronia concrete
FL/FR
cistus cyclohexanone
FL/FR
citronellyl valerate
FL/FR
3-
decanone
FL/FR
dihydrocitronellyl acetate
FL/FR
(±)-2,3-
dihydrofarnesol
FL/FR
earthy acetal
FL/FR
ethyl hydrocinnamate
FL/FR
eugenyl phenyl acetate
FL/FR
(Z)-3-
hexen-1-yl acetoacetate
FL/FR
(E)-2-
hexen-1-yl phenyl acetate
FL/FR
hexyl (Z)-tiglate
FL/FR
hyacinth absolute
FL/FR
hydroxycitronellal propylene glycol acetal
FL/FR
linalyl phenyl acetate
FL/FR
methyl (E)-2-hexenoate
FL/FR
2-
methyl butyl salicylate
FL/FR
beta-iso
methyl ionone
FL/FR
octyl isovalerate
FL/FR
osmanthus flower absolute
FL/FR
phenyl acetaldehyde solution
FL/FR
3-
phenyl propyl formate
FL/FR
iso
propyl anthranilate
FL/FR
styralyl formate
FL/FR
terpinyl isobutyrate
FL/FR
2-
tetradecenal
FL/FR
iso
amyl 3-(2-furan) propionate
FL/FR
alpha-
butyl cinnamaldehyde
FL/FR
beta-
damascone
FL/FR
aldehydic
aldehydic
iso
butyraldehyde
FL/FR
amber
iso
butyl benzyl carbinol
FL/FR
anisic
para-
anisyl phenyl acetate
FL/FR
aromatic
amyl salicylate
FL/FR
hyacinth acetals
FL/FR
citrus
bergamot oil
FL/FR
bergamot oil bergaptene reduced italy
FL/FR
bergamot oil turkey
FL/FR
citral dimethyl acetal
FL/FR
nerol
FL/FR
cocoa
butyraldehyde
FL
2-
methyl furan
FL
coconut
6-
methyl coumarin
FL
fatty
2-
decenal
FL/FR
floral
cardamom absolute
FL/FR
cinnamyl propionate
FL/FR
citronellyl acetate
FL/FR
citronellyl phenyl acetate
FL/FR
citronellyl propionate
FL/FR
cocoa pentenal
FL/FR
dihydrocarvyl acetate
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
3,7-
dimethyl-6-octenoic acid
FL/FR
farnesol
FL/FR
farnesyl acetate
FL/FR
geranium oil
FL/FR
geranium oil africa
FL/FR
geranyl acetone
FL/FR
geranyl phenyl acetate
FL/FR
linalyl acetate
FL/FR
methyl phenyl acetate
FL/FR
neroli oil CO2 extract
FL/FR
ocean propanal
FL/FR
orange leaf absolute
FL/FR
bitter
orangeflower absolute morocco
FL/FR
bitter
orangeflower absolute tunisia
FL/FR
orris rhizome resinoid (iris pallida)
FL/FR
phenethyl anthranilate
FL/FR
phenethyl benzoate
FL/FR
phenethyl propionate
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
laevo-
rose oxide
FL/FR
tropical ionone
FL/FR
ylang ylang flower oil III
FL/FR
fruity
benzyl methyl ether
FL/FR
citronellyl isobutyrate
FL/FR
(E)-beta-
damascone
FL/FR
dimethyl succinate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
hexyl lactate
FL/FR
phenethyl octanoate
FL/FR
rhodinyl formate
FL/FR
rose butanoate
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
green
benzaldehyde dimethyl acetal
FL/FR
chrysanthemum oxide
FL/FR
clary sage absolute
FL/FR
cocoa butenal
FL/FR
coriander oleoresin
FL/FR
3,4-
dimethoxystyrene
FL
geranyl formate
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
(E)-3-
hexenoic acid
FL
immortelle absolute
FL/FR
methyl 2-undecynoate
FL
para-
methyl hydratropaldehyde
FL/FR
methyl octine carbonate
FL/FR
(E)-
nerolidol
FL/FR
nerolidol
FL/FR
nonanal dimethyl acetal
FL/FR
papaya isobutyrate
FL/FR
(Z)-
rose oxide
FL/FR
herbal
coriander seed oil CO2 extract
FL/FR
honey
butyl phenyl acetate
FL/FR
ethyl phenyl acetate
FL/FR
honey absolute
FL/FR
phenethyl acetate
FL/FR
phenethyl phenyl acetate
FL/FR
phenyl acetaldehyde
FL/FR
iso
propyl phenyl acetate
FL/FR
leafy
methyl butyl phenyl acetate
FL/FR
medicinal
dimethyl benzyl carbinol
FL/FR
melon
hydroxycitronellal diethyl acetal
FL/FR
musk
ethylene brassylate
FL/FR
musty
2,3,5-
trimethyl pyrazine
FL/FR
nutty
2,4,5-
trimethyl thiazole
FL/FR
phenolic
para-
cresyl phenyl acetate
FL/FR
methyl benzoate
FL/FR
phenyl pyruvic acid
FL/FR
soapy
dodecanal (aldehyde C-12 lauric)
FL/FR
1-
dodecanol
FL/FR
sour
2,4-
dimethyl-2-pentenoic acid
FL
spicy
cinnamyl formate
FL/FR
iso
eugenyl phenyl acetate
FL/FR
sweet
agave flavor
FL
cyclohexyl acetic acid
FL/FR
tea
camellia oleifera leaf extract
FL/FR
waxy
alpha-
hexyl cinnamaldehyde
FL/FR
mimosa absolute
FL/FR
mimosa absolute france
FL/FR
mimosa absolute india
FL/FR
rhodinyl phenyl acetate
FL/FR
(E)-2-
tetradecenal
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
woody
(E)-beta-
ionone
FL/FR
(1S,5R)-
myrtenyl acetate
FL/FR
 
Potential Uses:
FRchocolate
 cortex
FRdavana oil replacer
FRfig
FRgreen
FRrose
FRstrawberry
FLtropical
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 benzene, (2,2-bis(2-methylpropoxy)ethyl)-
 benzene, [2,2-bis(2-methylpropoxy)ethyl]-
1,1-di(2-methylpropoxy)-2-phenylethane
1,1-diisobutoxy-2-phenyl ethane
1,1-diisobutoxy-2-phenylethane
(2,2-diisobutoxyethyl)benzene
 honey acetal
(2,2-bis(2-methyl propoxy)ethyl) benzene
(2,2-bis(2-methylpropoxy)ethyl)benzene
[2,2-bis(2-methylpropoxy)ethyl]benzene
2,2-bis(2-methylpropoxy)ethylbenzene
 phenyl acetaldehyde di iso butyl acetal
 phenylacetaldehyde diisobutyl acetal
 phenylacetaldehyde, diisobutyl acetal
 

Articles:

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Notes:
Flavouring ingredient
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