hydroxycitronellal propylene glycol acetal
2,6-dimethyl-7-(4-methyl-1,3-dioxolan-2-yl)heptan-2-ol
 
Notes:
None found
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CAS Number: 93804-64-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 298-441-9
FDA UNII: YVA11ARE3N
Nikkaji Web: J348.857H
XlogP3-AA: 2.60 (est)
Molecular Weight: 230.34782000
Formula: C13 H26 O3
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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JECFA Food Flavoring: 1975  hydroxycitronellal propyleneglycol acetal
FEMA Number: 4485 hydroxycitronellal propyleneglycol acetal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):93804-64-9 ; HYDROXYCITRONELLAL PROPYLENEGLYCOL ACETAL
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Physical Properties:
Appearance: colorless to pale yellow clear oily liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.95700 to 0.96700 @  20.00 °C.
Pounds per Gallon - (est).: 7.972 to  8.056
Refractive Index: 1.44900 to 1.45500 @  25.00 °C.
Boiling Point: 306.00 to  307.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.000072 mmHg @ 25.00 °C. (est)
Flash Point: 308.00 °F. TCC ( 153.33 °C. )
logP (o/w): 2.377 (est)
Soluble in:
 alcohol
 water, 392.6 mg/L @ 25 °C (est)
Insoluble in:
 water
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citral propylene glycol acetal
cyclamen aldehyde propylene glycol acetal
decanal propylene glycol acetal
ethyl vanillin propylene glycol acetal
furfural propylene glycol acetal
heliotropyl propylene glycol acetal
hexanal propylene glycol acetal
(E)-2-hexen-1-al propylene glycol acetal
melon heptenal propylene glycol acetal
6-methyl-5-hepten-2-one propylene glycol acetal
nonanal propylene glycol acetal
2-nonanone propylene glycol acetal
octanal propylene glycol acetal
perillaldehyde propylene glycol acetal
phenyl acetaldehyde propylene glycol acetal
para-tolualdehyde propylene glycol acetal
undecanal propylene glycol acetal
valeraldehyde propylene glycol acetal
isovaleraldehyde propylene glycol acetal
vanillin propylene glycol acetal
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Organoleptic Properties:
 
Odor Type: floral
 
Odor Strength: medium
 
 green  floral  lily  muguet  
Odor Description:
at 100.00 %. 
mild green floral lily muguet
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Parchem
hydroxycitronellal propylene glycol acetal
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
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for hydroxycitronellal propylene glycol acetal usage levels up to:
  20.0000 % in the fragrance concentrate.
 
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: 24
Click here to view publication 24
 average usual ppmaverage maximum ppm
baked goods: 0.100001.00000
beverages(nonalcoholic): 0.100001.00000
beverages(alcoholic): 0.100003.00000
breakfast cereal: --
cheese: --
chewing gum: 0.500005.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.200002.00000
fruit ices: --
gelatins / puddings: 0.100001.00000
granulated sugar: --
gravies: --
hard candy: 0.100003.00000
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: 0.100002.00000
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 2839751
National Institute of Allergy and Infectious Diseases: Data
 2,6-dimethyl-7-(4-methyl-1,3-dioxolan-2-yl)heptan-2-ol
Chemidplus: 0093804649
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References:
 2,6-dimethyl-7-(4-methyl-1,3-dioxolan-2-yl)heptan-2-ol
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 2839751
Pubchem (sid): 135267312
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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
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): Search
ChemSpider: View
FAO: Hydroxycitronellal propyleneglycol acetal
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Potential Blenders and core components note
 
For Odor
aldehydic
isobutyraldehydeFL/FR
6,7,8-decen-1-olFR
 dodecanal (aldehyde C-12 lauric)FL/FR
3-methyl-4-hexyl oxybutyraldehydeFR
balsamic
 cinnamyl formateFL/FR
citrus
 benzyl anthranilateFR
 bergamot oilFL/FR
 bergamot oil bergaptene reduced italyFL/FR
 bergamot oil turkeyFL/FR
 citral dimethyl acetalFL/FR
 citrus floral green fragranceFR
2,4-dimethyl-3-cyclohexene-1-methanyl acetateFR
 nonanal dimethyl acetalFL/FR
2-tetradecenalFL/FR
(E)-2-tetradecenalFL/FR
 tetrahydromyrcenolFR
earthy
2-octanone oximeFR
fatty
2-decenalFL/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
 citronellyl acetateFL/FR
 citronellyl propionateFL/FR
 coriander seed oil CO2 extractFL/FR
 cumin carbinolFR
 cyclamen homoaldehydeFR
 dictamnus hispanicus oilFR
 dihydrocarvyl acetateFL/FR
(±)-2,3-dihydrofarnesolFL/FR
 dihydroisojasmonate methyl esterFR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
2,5-dimethyl-2-indan methanolFR
6,8-dimethyl-2-nonanolFR
 ethyl phenoxyacetateFR
(E,E)-farnesolFL/FR
 farnesolFL/FR
 farnesyl acetateFL/FR
 floral butanalFR
 floral specialtyFR
 floral undecenoneFR
 gardenia absoluteFR
 gardenia acetalFR
 gardenia concreteFR
 geranium oilFL/FR
 geranium oil africaFL/FR
 geranyl acetoneFL/FR
 geranyl formateFL/FR
 geranyl nonanoateCS
(Z)-4-hepten-2-yl salicylateFR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl lactateFL/FR
 hyacinth oilFR
 hydrangea fragranceFR
 hydroxycitronellalFL/FR
 hydroxycitronellal / methyl anthranilate schiff's baseFR
 hydroxycitronellal diethyl acetalFL/FR
 hydroxycitronellal dimethyl acetalFL/FR
 hydroxycitronellal distillation residue distillatesFR
 hydroxycitronellal nitrileFR
 hydroxycitronellal residueFR
 jasmin cyclopentanolFR
 jonquil absoluteFR
 lilac absoluteFR
calla lily fragranceFR
 lily fragranceFR
 lily of the valley specialtyFR
 lily propanolFR
 lilyall / methyl anthranilate schiff's baseFR
 linalyl benzoateFL/FR
 linalyl phenyl acetateFL/FR
 lotus fragranceFR
 magnolia cyclohexanolFR
 magnolia decadienalFR
 magnolia indeneFR
(2-methoxy-1-methyl propyl) benzeneFR
(3-methoxy-2-methyl propyl) benzeneFR
1-(2-methyl allyl oxy)-2-methyl butaneFR
2-methyl octanalFL/FR
1-methyl-3-(2-methyl propyl) cyclohexanolFR
3-methyl-6-ethyl-5-octen-1-olFR
 mimosa absoluteFL/FR
 mimosa absolute franceFL/FR
 mimosa absolute indiaFL/FR
 muguet butanalFR
 muguet carbaldehydeFR
 muguet octadienolFR
 muguet specialtyFR
 nerolFL/FR
 neroli oil CO2 extractFL/FR
 nerolidolFL/FR
(E)-nerolidolFL/FR
(S)-ocean propanal 
 ocean propanalFL/FR
 ocean propanal / methyl anthranilate schiff's baseFR
 octahydro-4,7-methano-1H-indene-5-acetaldehydeFR
 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
 rhodinyl formateFL/FR
 rose butanoateFL/FR
(Z)-rose oxideFL/FR
laevo-rose oxideFL/FR
 rose pyranFR
 styralyl formateFL/FR
 sweet pea absoluteFR
 tagetes erecta flower oleoresin 
alpha-terpinyl anthranilateFL/FR
 terpinyl isobutyrateFL/FR
 tetrahydrolinaloolFL/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
 citronellyl isobutyrateFL/FR
 cyclohexyl crotonateFR
 dimethyl succinateFL/FR
2-ethyl butyl 2-butenoate 
 ethyl methyl-para-tolyl glycidateFL/FR
 peach pivalateFR
 tropical iononeFL/FR
fungal
 jasmin nonaneFR
green
isoamyl 3-(2-furan) propionateFL/FR
isobutyl benzyl carbinolFL/FR
 chrysanthemum oxideFL/FR
3,7-dimethyl-6-octenoic acidFL/FR
 earthy acetalFL/FR
 ethylene glycol diacetate 
2-ethylidene-6-methyl-cis-3-heptenal 
 flower hexeneFR
 green cyclopropionateFR
2-heptyl pyridine 
(Z)-3-hexen-1-yl acetoacetateFL/FR
(Z)-3-hexen-1-yl angelateFR
 hexen-1-yl oxypropane nitrileFR
 hexyl (Z)-tiglateFL/FR
 hyacinth absoluteFL/FR
 ivy dioxolaneFR
(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
4-methyl-4-phenyl pentanoneFR
2-nonanone oximeFR
1-(octahydro-4,7-methanoinden-5-yl)-propan-2-ol 
 octyl oxyacetaldehydeFR
 pelargonium graveolens stem leaf extractFR
 phenyl acetaldehyde diethyl acetalFL/FR
 phenyl acetaldehyde solutionFL/FR
herbal
 chrysanthemum ketoneFR
 clary sage absoluteFL/FR
 coriander oleoresinFL/FR
 dihexyl (E)-fumarateFR
 dimethyl benzyl carbinyl formateFL/FR
 linalyl acetateFL/FR
2-methyl butyl salicylateFL/FR
(1S,5R)-myrtenyl acetateFL/FR
 phenyl acetaldehyde diisoamyl acetalFR
medicinal
 kunzea ericoides leaf oilFR
spicy
 cinnamyl propionateFL/FR
isocyclogeraniol (IFF)FR
 spicy carbonateFR
tea
 camellia oleifera leaf extractFL/FR
waxy
3-decanoneFL/FR
woody
 amber dioxaneFR
 hydroxycitronellal diisotridecyl acetalFR
 
For Flavor
 
No flavor group found for these
 acetaldehyde dibutyl acetalFL/FR
 amyl benzoateFL/FR
 boronia concreteFL/FR
3-decanoneFL/FR
(±)-2,3-dihydrofarnesolFL/FR
 dimethyl benzyl carbinyl formateFL/FR
 earthy acetalFL/FR
2-ethyl butyl 2-butenoate 
 ethylene glycol diacetate 
2-ethylidene-6-methyl-cis-3-heptenal 
(E,E)-farnesolFL/FR
2-heptyl pyridine 
(Z)-3-hexen-1-yl acetoacetateFL/FR
 hexyl (Z)-tiglateFL/FR
 hyacinth absoluteFL/FR
 linalyl phenyl acetateFL/FR
2-methyl butyl salicylateFL/FR
2-methyl octanalFL/FR
(S)-ocean propanal 
1-(octahydro-4,7-methanoinden-5-yl)-propan-2-ol 
 phenyl acetaldehyde diethyl acetalFL/FR
 phenyl acetaldehyde solutionFL/FR
 styralyl formateFL/FR
 tagetes erecta flower oleoresin 
alpha-terpinyl anthranilateFL/FR
 terpinyl isobutyrateFL/FR
2-tetradecenalFL/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
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
 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
 tetrahydrolinaloolFL/FR
 tropical iononeFL/FR
 ylang ylang flower oil IIIFL/FR
fruity
 benzyl methyl etherFL/FR
 citronellyl isobutyrateFL/FR
 dimethyl succinateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 hexyl lactateFL/FR
 linalyl benzoateFL/FR
 rhodinyl formateFL/FR
 rose butanoateFL/FR
green
 chrysanthemum oxideFL/FR
 clary sage absoluteFL/FR
3,4-dimethoxystyreneFL
 geranyl formateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
 methyl 2-undecynoateFL
para-methyl hydratropaldehydeFL/FR
 methyl octine carbonateFL/FR
(E)-nerolidolFL/FR
 nerolidolFL/FR
 nonanal dimethyl acetalFL/FR
 papaya isobutyrateFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
(Z)-rose oxideFL/FR
herbal
 coriander oleoresinFL/FR
 coriander seed oil CO2 extractFL/FR
medicinal
 dimethyl benzyl carbinolFL/FR
melon
 hydroxycitronellal diethyl acetalFL/FR
soapy
 dodecanal (aldehyde C-12 lauric)FL/FR
spicy
 cinnamyl formateFL/FR
tea
 camellia oleifera leaf extractFL/FR
waxy
alpha-hexyl cinnamaldehydeFL/FR
 hydroxycitronellalFL/FR
 hydroxycitronellal dimethyl acetalFL/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:
2,6-dimethyl-1,3-dioxolane-2-heptanol
2,6-dimethyl-7-(4-methyl-1,3-dioxolan-2-yl)-2-heptanol
2,6-dimethyl-7-(4-methyl-1,3-dioxolan-2-yl)heptan-2-ol
 hydroxycitronellal propyleneglycol acetal
4-methyl-1,3-dioxolane-1-(6-hydroxy-2,6-dimethyl heptyl)
4-methyl-1,3-dioxolane-1-(6-hydroxy-2,6-dimethylheptyl)
a,a,e,4-tetramethyl-1,3-dioxolane-2-hexanol
alpha,alpha,epsilon,4-tetramethyl-1,3-dioxolane-2-hexanol
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