phenyl acetaldehyde diisoamyl acetal
benzene, [2,2-bis(3-methylbutoxy)ethyl]-
 
Notes:
None found
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CAS Number: 68555-28-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 271-419-6
Nikkaji Web: J309.185F
XlogP3-AA: 5.40 (est)
Molecular Weight: 278.43550000
Formula: C18 H30 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 333.00 to  335.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.000250 mmHg @ 25.00 °C. (est)
Flash Point: 217.00 °F. TCC ( 102.70 °C. ) (est)
logP (o/w): 5.456 (est)
Soluble in:
 alcohol
 water, 0.2165 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: herbal
 
Odor Strength: medium
 
 herbal  green  floral  
Odor Description:
at 100.00 %. 		herbal green floral
 
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:
 None found
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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: fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Recommendation for phenyl acetaldehyde diisoamyl acetal flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 68555-28-2
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 109464
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 2,2-bis(3-methylbutoxy)ethylbenzene
Chemidplus: 0068555282
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References:
 2,2-bis(3-methylbutoxy)ethylbenzene
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 68555-28-2
Pubchem (cid): 109464
Pubchem (sid): 135066810
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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
HMDB (The Human Metabolome Database): Search
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 tagete oil rwanda 
aldehydic
 agrumen nitrileFR
isobutyraldehydeFL/FR
6,7,8-decen-1-olFR
 dodecanal (aldehyde C-12 lauric)FL/FR
3-methyl-4-hexyl oxybutyraldehydeFR
animal
isobutyl quinolineFR
anisic
 estragoleFL/FR
 ocimum basilicum leaf oil americaFL/FR
balsamic
 cinnamyl formateFL/FR
christmas pine fragranceFR
caramellic
2-isobutyl-3-methyl pyrazineFL/FR
citrus
 bergamot oilFL/FR
 bergamot oil bergaptene reduced italyFL/FR
 bergamot oil turkeyFL/FR
 citral dimethyl acetalFL/FR
 citrus floral green fragranceFR
isodecyl acetateFR
2,4-dimethyl-3-cyclohexene-1-methanyl acetateFR
 nonanal dimethyl acetalFL/FR
 ocimene quintoxideFL/FR
2-tetradecenalFL/FR
(E)-2-tetradecenalFL/FR
earthy
 geosminFL/FR
(S)-1-octen-3-olFL/FR
ethereal
 ethyl 4-pentenoateFL/FR
fatty
2-decenalFL/FR
2-octenalFL/FR
floral
 acetaldehyde dibutyl acetalFL/FR
 amyl benzoateFL/FR
 amyl salicylateFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 boronia concreteFL/FR
alpha-butyl cinnamaldehydeFL/FR
 cassis oxime 10%FR
 cilantro herb oil egyptFL/FR
 citronellyl acetateFL/FR
 citronellyl propionateFL/FR
 coriander seed oil CO2 extractFL/FR
 cumin carbinolFR
 cymbopogon validus leaf oilFR
 dictamnus hispanicus oilFR
 dihydrocarvyl acetateFL/FR
 dihydrocitronellyl ethyl etherFR
(±)-2,3-dihydrofarnesolFL/FR
 dihydroisojasmonate methyl esterFR
 dihydrorose oxideFR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
6,8-dimethyl-2-nonanolFR
2,4-dimethyl-3-cyclohexene-1-methanolFR
 ethyl phenoxyacetateFR
 farnesolFL/FR
 farnesyl acetateFL/FR
 floral butanalFR
 floral undecenoneFR
 gardenia absoluteFR
 gardenia acetalFR
 gardenia concreteFR
 geranium oilFL/FR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
 geranyl acetoneFL/FR
 geranyl formateFL/FR
(Z)-4-hepten-2-yl salicylateFR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl lactateFL/FR
 hyacinth oilFR
 hydrangea fragranceFR
 hydroxycitronellal diethyl acetalFL/FR
 hydroxycitronellal propylene glycol acetalFL/FR
 jasmin cyclopentanolFR
 jonquil absoluteFR
 lilac absoluteFR
 lily fragranceFR
 lily propanolFR
 linalyl phenyl acetateFL/FR
 linden flower absoluteFR
 lotus fragranceFR
 magnolia indeneFR
 melaleuca ericifolia leaf oilFR
(2-methoxy-1-methyl propyl) benzeneFR
(3-methoxy-2-methyl propyl) benzeneFR
1-(2-methyl allyl oxy)-2-methyl butaneFR
para-methyl benzyl acetateFL/FR
 mimosa absoluteFL/FR
 mimosa absolute franceFL/FR
 mimosa absolute indiaFL/FR
 nerolFL/FR
 neroli oil CO2 extractFL/FR
 nerolidolFL/FR
(E)-nerolidolFL/FR
 neryl formateFL/FR
3-nonanoneFL/FR
 ocean propanalFL/FR
 ocean propanal / methyl anthranilate schiff's baseFR
 orange leaf absoluteFL/FR
bitter orangeflower absolute tunisiaFL/FR
 orchid specialtyFR
 papaya isobutyrateFL/FR
 phenyl acetaldehyde dicitronellyl acetalFR
 phenyl acetaldehyde diisobutyl acetalFL/FR
2-phenyl propionaldehyde ethylene glycol acetalFR
isophytolFL/FR
 prenyl salicylateFL/FR
 reseda absoluteFR
 rhodinyl formateFL/FR
 rose butanoateFL/FR
laevo-rose oxideFL/FR
(Z)-rose oxideFL/FR
 rose pyranFR
 styralyl formateFL/FR
 sweet pea absoluteFR
 terpinyl isobutyrateFL/FR
5-tricyclodecenyl acetateFR
(S,E)-3,7,11-trimethyldodeca-6,10-dienalFR
 verdyl acetateFR
 violet methyl carbonateFR
 ylang ylang flower oil IIIFL/FR
fresh
3-(3-propen-2-yl phenyl) butanalFR
fruity
 benzyl methyl etherFL/FR
3-butyl bicyclo[3.2.1]-6-octen-2-oneFR
 citronellyl isobutyrateFL/FR
 cyclohexyl crotonateFR
 dimethyl succinateFL/FR
 ethyl 2-ethyl acetoacetateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 peach pivalateFR
 tropical indeneFR
 tropical iononeFL/FR
fungal
 jasmin nonaneFR
green
 agrumen aldehydeFR
isoamyl 3-(2-furan) propionateFL/FR
 birch leaf specialtyFR
isobutyl benzyl carbinolFL/FR
isobutyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
S-sec-butyl thioisovalerateFL/FR
 carrot leaf oil (daucus carota ssp.maximus)FR
 chrysanthemum carbaldehydeFR
 chrysanthemum oxideFL/FR
3,7-dimethyl-6-octenoic acidFL/FR
 earthy acetalFL/FR
 flower hexeneFR
 green cyclopropionateFR
 heptanal (aldehyde C-7)FL/FR
 heptyl benzoateFL/FR
(Z)-3-hexen-1-yl acetoacetateFL/FR
(Z)-3-hexen-1-yl angelateFR
 hexen-1-yl oxypropane nitrileFR
3-hexenyl 2-methyl butyrateFL/FR
 hexyl (Z)-tiglateFL/FR
 hyacinth absoluteFL/FR
 ivy dioxolaneFR
english ivy leaf absoluteFR
 marigold pot absoluteFL/FR
(2-methoxy-1-methyl butyl) benzeneFR
[(4E,4Z)-5-methoxy-3-methyl-4-penten-1-yl] benzeneFR
 methyl cyclocitrone (IFF)FR
para-methyl hydratropaldehydeFL/FR
 methyl octine carbonateFL/FR
6-methyl-3-hepten-2-oneFL/FR
4-methyl-4-phenyl pentanoneFR
 octyl oxyacetaldehydeFR
 pelargonium graveolens stem leaf extractFR
 phenyl acetaldehyde solutionFL/FR
3-propyl bicyclo(3.2.1)-6-octen-2-oneFR
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
 terpinyl propionateFL/FR
 triplal / ethyl anthranilate schiff's baseFR
herbal
 anethum graveolens herb oilFL/FR
 anethum graveolens herb tinctureFL/FR
 anthemis nobilis flower extractFL/FR
 anthemis nobilis flower oil romanFL/FR
 apium graveolens seed oilFL/FR
 apium graveolens seed oil indiaFL/FR
 artemisia alba oilFR
sweet basil absoluteFL/FR
(+)-alpha-campholenic aldehydeFL/FR
 chrysanthemum ketoneFR
 clary sage absoluteFL/FR
 coriander oleoresinFL/FR
 dihexyl (E)-fumarateFR
 dill weed oil cubaFL/FR
 dill weed oil reunionFL/FR
 dimethyl benzyl carbinyl formateFL/FR
2-(2,4-dimethyl-3-cyclohexene-1-yl)-4,4-dimethyl-1,3-oxathianeFR
cis-herbal cyclohexaneFR
 herbal dioxaneFR
 herbal heptaneFR
 hop absoluteFL/FR
 hop oilFL/FR
 lantana camara flower oilFR
 linalyl acetateFL/FR
 marigold oil mexicoFL/FR
 melaleuca leucadendron var. cajuputi leaf oilFL/FR
1-(2-methyl allyl oxy) heptaneFR
2-methyl butyl salicylateFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
 monarda fistulosa oilFR
(1S,5R)-myrtenyl acetateFL/FR
 nonisyl formateFR
1-octen-3-yl acetateFL/FR
 oregano specialtyFR
 origanum oilFL/FR
 origanum oil greeceFL/FR
 perilla leaf oilFL/FR
 perillaldehydeFL/FR
 petroselinum crispum seed oil CO2 extractFL/FR
 prenyl senecioateFL/FR
 rosmarinus officinalis extractFL/FR
 rosmarinus officinalis tinctureFL/FR
 tagete oil CO2 extractFL/FR
 theaspiraneFL/FR
 thyme absoluteFL/FR
 tricyclodecyl acetateFR
 viridiflorolFL/FR
 wormwood oil americaFL/FR
 wormwood oil italyFL/FR
 wormwood oil polandFL/FR
medicinal
 kunzea ericoides leaf oilFR
minty
(-)-menthoneFL/FR
mossy
 treemoss absoluteFR
soapy
 methyl anthranilate / hexyl cinnamaldehyde schiff's baseFR
spicy
isobutyl angelateFL/FR
 cinnamyl propionateFL/FR
 cuminaldehydeFL/FR
isocyclogeraniol (IFF)FR
 origanum majorana oilFL/FR
 outdoors specialtyFR
 spicy carbonateFR
tea
 camellia oleifera leaf extractFL/FR
waxy
3-decanoneFL/FR
woody
 cinnamyl tiglateFL/FR
 dalbergia sissoo leaf oilFR
alpha-farneseneFL/FR
alpha-farnesene isomerFL/FR
 verdoxanFR
 
For Flavor
 
No flavor group found for these
 acetaldehyde dibutyl acetalFL/FR
 amyl benzoateFL/FR
 boronia concreteFL/FR
isobutyl heptanoateFL/FR
S-sec-butyl thioisovalerateFL/FR
 cinnamyl tiglateFL/FR
3-decanoneFL/FR
(±)-2,3-dihydrofarnesolFL/FR
 dimethyl benzyl carbinyl formateFL/FR
 earthy acetalFL/FR
 ethyl 4-pentenoateFL/FR
 heptyl benzoateFL/FR
(Z)-3-hexen-1-yl acetoacetateFL/FR
 hexyl (Z)-tiglateFL/FR
 hyacinth absoluteFL/FR
 hydroxycitronellal propylene glycol acetalFL/FR
 linalyl phenyl acetateFL/FR
 melaleuca leucadendron var. cajuputi leaf oilFL/FR
2-methyl butyl salicylateFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
6-methyl-3-hepten-2-oneFL/FR
(S)-1-octen-3-olFL/FR
2-octenalFL/FR
 perilla leaf oilFL/FR
 phenyl acetaldehyde solutionFL/FR
 prenyl senecioateFL/FR
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
 styralyl formateFL/FR
 tagete oil rwanda 
 terpinyl isobutyrateFL/FR
2-tetradecenalFL/FR
 viridiflorolFL/FR
isoamyl 3-(2-furan) propionateFL/FR
alpha-butyl cinnamaldehydeFL/FR
aldehydic
isobutyraldehydeFL/FR
amber
isobutyl benzyl carbinolFL/FR
aromatic
 amyl salicylateFL/FR
citrus
 bergamot oilFL/FR
 bergamot oil bergaptene reduced italyFL/FR
 bergamot oil turkeyFL/FR
 citral dimethyl acetalFL/FR
 nerolFL/FR
cooling
 theaspiraneFL/FR
earthy
 geosminFL/FR
fatty
2-decenalFL/FR
floral
 cinnamyl propionateFL/FR
 citronellyl acetateFL/FR
 citronellyl propionateFL/FR
 dihydrocarvyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
3,7-dimethyl-6-octenoic acidFL/FR
 farnesolFL/FR
 farnesyl acetateFL/FR
 geranium oilFL/FR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
 geranyl acetoneFL/FR
 linalyl acetateFL/FR
 neroli oil CO2 extractFL/FR
 ocean propanalFL/FR
 orange leaf absoluteFL/FR
bitter orangeflower absolute tunisiaFL/FR
laevo-rose oxideFL/FR
 tropical iononeFL/FR
 ylang ylang flower oil IIIFL/FR
fruity
 benzyl methyl etherFL/FR
 citronellyl isobutyrateFL/FR
 dimethyl succinateFL/FR
 ethyl 2-ethyl acetoacetateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 hexyl lactateFL/FR
para-methyl benzyl acetateFL/FR
 neryl formateFL/FR
 rhodinyl formateFL/FR
 rose butanoateFL/FR
 tagete oil CO2 extractFL/FR
green
 anethum graveolens herb tinctureFL/FR
isobutyl angelateFL/FR
isobutyl methyl ketoneFL/FR
2-isobutyl-3-methyl pyrazineFL/FR
(+)-alpha-campholenic aldehydeFL/FR
 chrysanthemum oxideFL/FR
 clary sage absoluteFL/FR
alpha-farneseneFL/FR
alpha-farnesene isomerFL/FR
 geranyl formateFL/FR
 heptanal (aldehyde C-7)FL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 marigold pot absoluteFL/FR
para-methyl hydratropaldehydeFL/FR
 methyl octine carbonateFL/FR
 nerolidolFL/FR
(E)-nerolidolFL/FR
 nonanal dimethyl acetalFL/FR
3-nonanoneFL/FR
 ocimene quintoxideFL/FR
1-octen-3-yl acetateFL/FR
 papaya isobutyrateFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
(Z)-rose oxideFL/FR
 terpinyl propionateFL/FR
herbal
 anethum graveolens herb oilFL/FR
 anthemis nobilis flower extractFL/FR
 anthemis nobilis flower oil romanFL/FR
 apium graveolens seed oilFL/FR
 apium graveolens seed oil indiaFL/FR
sweet basil absoluteFL/FR
 cilantro herb oil egyptFL/FR
 coriander oleoresinFL/FR
 coriander seed oil CO2 extractFL/FR
 dill weed oil cubaFL/FR
 dill weed oil reunionFL/FR
 hop absoluteFL/FR
 hop oilFL/FR
 marigold oil mexicoFL/FR
 ocimum basilicum leaf oil americaFL/FR
 origanum majorana oilFL/FR
 origanum oilFL/FR
 origanum oil greeceFL/FR
 petroselinum crispum seed oil CO2 extractFL/FR
 prenyl salicylateFL/FR
 rosmarinus officinalis extractFL/FR
 rosmarinus officinalis tinctureFL/FR
 thyme absoluteFL/FR
 wormwood oil americaFL/FR
 wormwood oil italyFL/FR
 wormwood oil polandFL/FR
licorice
 estragoleFL/FR
medicinal
 dimethyl benzyl carbinolFL/FR
melon
 hydroxycitronellal diethyl acetalFL/FR
minty
(-)-menthoneFL/FR
oily
isophytolFL/FR
soapy
 dodecanal (aldehyde C-12 lauric)FL/FR
spicy
 cinnamyl formateFL/FR
 cuminaldehydeFL/FR
 perillaldehydeFL/FR
tea
 camellia oleifera leaf extractFL/FR
waxy
alpha-hexyl cinnamaldehydeFL/FR
 mimosa absoluteFL/FR
 mimosa absolute franceFL/FR
 mimosa absolute indiaFL/FR
(E)-2-tetradecenalFL/FR
woody
(1S,5R)-myrtenyl acetateFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 benzene, (2,2-bis(3-methylbutoxy)ethyl)-
 benzene, [2,2-bis(3-methylbutoxy)ethyl]-
(2,2-bis(3-methyl butoxy)ethyl) benzene
(2,2-bis(3-methylbutoxy)ethyl)benzene
[2,2-bis(3-methylbutoxy)ethyl]benzene
2,2-bis(3-methylbutoxy)ethylbenzene
 phenyl acetaldehyde di iso amyl acetal
 phenylacetaldehyde diisoamyl acetal
 phenylacetaldehyde diisoamylacetal
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