vanillin hexylene glycol acetal
phenol, 2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)-
 
Notes:
None found
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CAS Number: 52514-66-6Picture of molecule3D/inchi
% from: 70.00% to 75.00%
ECHA EINECS - REACH Pre-Reg: 257-986-2
Nikkaji Web: J86.592C
XlogP3-AA: 2.40 (est)
Molecular Weight: 252.31020000
Formula: C14 H20 O4
NMR Predictor: Predict (works with chrome or firefox)
Also(can) Contains: hexylene glycol 22.00% to 27.00%
 vanillin 2.00% to 5.00%
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 70.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 358.00 to  359.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.000012 mmHg @ 25.00 °C. (est)
Flash Point: 222.00 °F. TCC ( 105.56 °C. )
logP (o/w): 2.523 (est)
Shelf Life: 48.00 month(s) or longer if stored properly.
Storage: store in cool, dry place in tightly sealed containers, protected from heat and light. store under nitrogen.
Storage: store under nitrogen.
Soluble in:
 alcohol
 water, slightly
 water, 185.1 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: vanilla
 
Odor Strength: medium
 
 sweet  creamy  vanilla  smoky  
Odor Description:
at 100.00 %. 		sweet creamy vanilla smoky
 
Odor and/or flavor descriptions from others (if found).
 
Bedoukian Research
VANILLIN HEXYLENE GLYCOL ACETAL ≥70.0% (sum of isomers)
Odor Description: Sweet, creamy, rich vanilla odor with slightly smoky undertone
For use in vanilla, chocolate, and other fragrances and accords for richness and intense vanilla note; particularly useful in candle and body care fragrances.
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
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 vanillin hexylene glycol acetal usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Recommendation for vanillin hexylene glycol acetal flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 52514-66-6
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 103654
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 1
 2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)phenol
Chemidplus: 0052514666
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References:
 2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)phenol
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 103654
Pubchem (sid): 135061003
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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
Export Tariff Code: 2911.00.5000
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 bird of paradise fragranceFR
acidic
 cyclohexyl acetic acidFL/FR
aldehydic
 acetyl nonyrylFL/FR
amber
 ambrette seed oilFL/FR
anisic
ortho-acetanisoleFL/FR
para-acetanisoleFL/FR
para-anisaldehydeFL/FR
ortho-anisaldehydeFL/FR
 methyl para-anisateFL/FR
balsamic
 benzoinFL/FR
sumatra benzoin absoluteFL/FR
siam benzoin absoluteFL/FR
 benzoin absolute replacerFL/FR
sumatra benzoin gumFL/FR
sumatra benzoin resinFL/FR
siam benzoin resinFL/FR
 benzoin resin replacerFR
siam benzoin resinoidFL/FR
sumatra benzoin resinoidFL/FR
 benzophenoneFR
1-benzoyl acetoneFL/FR
isobutyl benzoateFL/FR
 cinnamyl alcoholFL/FR
 ethyl cinnamateFL/FR
 peru balsam absoluteFL/FR
 peru balsam oilFL/FR
 peru balsam resinoidFL/FR
berry
 raspberry ketone methyl etherFL/FR
buttery
 acetoinFL/FR
 acetyl butyrylFL/FR
 acetyl isobutyrylFL/FR
 acetyl propionylFL/FR
 butyl butyryl lactateFL/FR
caramellic
2-oxobutyric acidFL/FR
 levulinic acidFL/FR
 strawberry furanone acetateFL/FR
cheesy
 butyric acidFL/FR
chocolate
 chocolate specialtyFR
 cocoa oleoresinFL/FR
 cocoa pentenalFL/FR
 vanillyl ethyl etherFL/FR
coconut
alpha-angelica lactoneFL/FR
 coconut decanone methylFR
delta-decalactoneFL/FR
delta-2-dodecenolactoneFL/FR
delta-nonalactoneFL/FR
gamma-octalactoneFL/FR
delta-undecalactoneFL/FR
coumarinic
 coumaneFL/FR
 phthalideFL/FR
creamy
 butyl lactateFL/FR
gamma-butyrolactoneFL/FR
 creamy lactoneFL/FR
 geranyl ethyl acetalFR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
para-vanillic acidFL/FR
para-vanillyl alcoholFL/FR
 veratraldehydeFL/FR
earthy
1-nonen-3-olFL/FR
fatty
(Z)-dairy lactoneFL/FR
 ethyl undecylenateFL/FR
4-methyl octanoic acidFL/FR
fermented
 butyl laevo-lactateFL/FR
floral
 acetophenoneFL/FR
para-anisaldehyde / methyl anthranilate schiff's baseFR
 anisyl propanal / methyl anthranilate schiff's baseFR
 coffee flower absoluteFR
para-cresyl laurateFL/FR
 dimethyl alpha-iononeFR
 dimethyl anthranilateFL/FR
 geranyl phenyl acetateFL/FR
 heliotropinFL/FR
(E)-beta-iononeFL/FR
alpha-ironeFL/FR
para-methyl acetophenoneFL/FR
ortho-methyl acetophenoneFL/FR
beta-isomethyl iononeFL/FR
alpha-isomethyl ionone (50% min.)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
 orris rhizome resinoid (iris pallida)FL/FR
isopropyl phenyl acetateFL/FR
 rhodinolFL/FR
 rhodinyl phenyl acetateFL/FR
(E)-2,5,9-trimethyl-4,9-decadien-1-alFR
fruity
 acetoin acetateFL/FR
 acetyl methyl anthranilateFL/FR
para-anisyl propionateFL/FR
 cherry oxyacetateFL/FR
gamma-decalactoneFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 farnesyl acetoneFL/FR
 guaiacyl propionateFL/FR
 methyl (Z)-5-octenoateFL/FR
 octyl butyrateFL/FR
 peach pivalateFR
 tolualdehydes (mixed o,m,p)FL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
 vanilla carboxylateFL/FR
green
isobutyl benzyl carbinolFL/FR
(Z)-4-hepten-1-olFL/FR
(Z)-4-heptenalFL/FR
(Z)-4-heptenal diethyl acetalFL/FR
para-methyl hydratropaldehydeFL/FR
 phenoxyethyl isobutyrateFL/FR
minty
 menthoxypropane diolFL/FR
 vanillin menthoxypropane diol acetalFL/FR
mushroom
3-octen-2-olFL/FR
musk
 cyclohexadecanoneFR
 ethylene brassylateFL/FR
 exaltone (Firmenich)FR
dextro,laevo-musconeFL/FR
 musk amberolFR
 musk indaneFR
 musk tetralinFL/FR
omega-pentadecalactoneFL/FR
musty
 cocoa butenalFL/FR
 tetrahydrogeranyl acetoneFL/FR
naphthyl
2,4-dimethyl benzaldehydeFL/FR
para-methyl anisoleFL/FR
beta-naphthyl ethyl etherFL/FR
nutty
 nutty cyclohexenoneFL/FR
 resorcinolFR
2,3,5,6-tetramethyl pyrazineFL/FR
2,3,5-trimethyl pyrazineFL/FR
phenolic
 ethyl vanillateFL/FR
ortho-guaiacolFL/FR
powdery
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
alpha-methyl iononeFL/FR
smoky
alpha-ethoxy-ortho-cresolFL/FR
spicy
para-anisyl formateFL/FR
 dianthus ethoneFR
4-ethyl guaiacolFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
para-methoxycinnamaldehydeFL/FR
4-methyl guaiacolFL/FR
 spicy acetoacetateFL/FR
 zingeroneFL/FR
sweet
 tonka bean absolute replacerFR
 vanilla bean absolute (vanilla spp.)FL/FR
 vanilla oleoresin baliFL/FR
 vanilla resinoidFL/FR
 vanilla tahitensis fruit extractFL/FR
tobacco
 methyl benzoxoleFL/FR
tonka
6-amyl-alpha-pyroneFL/FR
 coumarinFR
 mint lactoneFL/FR
 octahydrocoumarinFL/FR
tropical
 curcuma amada roxb. rhizome oil CO2 extractFL/FR
vanilla
 acetovanilloneFL/FR
 crème brulee fragranceFR
ortho-dimethyl hydroquinoneFL/FR
 ethyl vanillinFL/FR
 ethyl vanillin acetateFR
 ethyl vanillin diethyl acetalFR
 ethyl vanillin hexylene glycol acetalFR
 ethyl vanillin isobutyrateFL/FR
 ethyl vanillin propylene glycol acetalFL/FR
 heliotropyl alcoholFL/FR
 methyl vanillateFL/FR
 propenyl guaetholFL/FR
 vanillaFR
 vanilla aromatica fruit extractFL/FR
 vanilla bean absolute (vanilla planifolia)FL/FR
 vanilla bean absolute CO2 extract (vanilla planifolia)FL/FR
 vanilla bean fragranceFR
 vanilla bean oil (vanilla planifolia)FR
 vanilla bean oil (vanilla tahitensis)FL/FR
 vanilla bean oil CO2 extractFL/FR
 vanilla bean tinctureFR
 vanilla cresolFR
 vanilla extractFL/FR
country vanilla fragranceFR
french vanilla fragranceFR
 vanilla fragranceFR
 vanilla oleoresin bourbonFL/FR
 vanilla planifolia fruit extractFL/FR
 vanilla planifolia fruit infusionFR
 vanilla planifolia fruit waterFL/FR
 vanilla specialtyFR
 vanilla tahitensis fruit absoluteFR
 vanilla tahitensis fruit absolute CO2 extractFL/FR
 vanilla tahitensis fruit oil CO2 extractFR
 vanillinFL/FR
 vanillin 2,3-butylene glycol acetalFL/FR
 vanillin propylene glycol acetalFL/FR
 vanillyl acetateFL/FR
 vanillyl butyl etherFL/FR
 vanillyl isobutyrateFL/FR
 vanillylidene acetoneFL/FR
vegetable
 methionalFL/FR
waxy
 allyl nonanoateFL/FR
 ethyl palmitateFL/FR
 methyl laurateFL/FR
2-nonanolFL/FR
 octyl isobutyrateFL/FR
delta-tetradecalactoneFL/FR
 undecanoic acidFL/FR
woody
 amber formateFR
 guaiacwood oilFL/FR
 guaiacyl acetateFL/FR
4-hydroxybenzaldehydeFL/FR
(+)-alpha-santalyl acetateFL/FR
 timber propanolFR
 vetiveryl acetateFL/FR
 woody epoxideFR
 
For Flavor
 
No flavor group found for these
para-anisyl propionateFL/FR
 benzoinFL/FR
1-benzoyl acetoneFL/FR
 coumaneFL/FR
ortho-dimethyl hydroquinoneFL/FR
delta-2-dodecenolactoneFL/FR
alpha-ethoxy-ortho-cresolFL/FR
 farnesyl acetoneFL/FR
 guaiacyl propionateFL/FR
 heliotropyl alcoholFL/FR
 menthoxypropane diolFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
beta-isomethyl iononeFL/FR
 methyl para-anisateFL/FR
 methyl vanillateFL/FR
 musk tetralinFL/FR
(+)-alpha-santalyl acetateFL/FR
 vanillin menthoxypropane diol acetalFL/FR
 vanillyl butyl etherFL/FR
 vetiveryl acetateFL/FR
acidic
 levulinic acidFL/FR
aldehydic
 acetyl nonyrylFL/FR
amber
 ambrette seed oilFL/FR
isobutyl benzyl carbinolFL/FR
anisic
para-acetanisoleFL/FR
ortho-anisaldehydeFL/FR
ortho-methyl acetophenoneFL/FR
balsamic
 benzoin absolute replacerFL/FR
sumatra benzoin gumFL/FR
siam benzoin resinFL/FR
sumatra benzoin resinFL/FR
siam benzoin resinoidFL/FR
sumatra benzoin resinoidFL/FR
 ethyl cinnamateFL/FR
 peru balsam absoluteFL/FR
 peru balsam oilFL/FR
 peru balsam resinoidFL/FR
 vanillylidene acetoneFL/FR
berry
 raspberry ketone methyl etherFL/FR
brown
2-oxobutyric acidFL/FR
buttery
 butyl laevo-lactateFL/FR
caramellic
 strawberry furanone acetateFL/FR
cherry
 heliotropinFL/FR
para-methoxycinnamaldehydeFL/FR
chocolate
 cocoa oleoresinFL/FR
citrus
 tetrahydrogeranyl acetoneFL/FR
coconut
delta-decalactoneFL/FR
 octahydrocoumarinFL/FR
coumarinic
 phthalideFL/FR
creamy
 acetoinFL/FR
 acetyl butyrylFL/FR
 acetyl isobutyrylFL/FR
6-amyl-alpha-pyroneFL/FR
alpha-angelica lactoneFL/FR
para-anisaldehydeFL/FR
 butyl butyryl lactateFL/FR
 creamy lactoneFL/FR
 ethyl vanillateFL/FR
4-hydroxybenzaldehydeFL/FR
para-methyl acetophenoneFL/FR
 mint lactoneFL/FR
delta-nonalactoneFL/FR
 octyl isobutyrateFL/FR
delta-undecalactoneFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
para-vanillic acidFL/FR
para-vanillyl alcoholFL/FR
 veratraldehydeFL/FR
dairy
 butyl lactateFL/FR
 methyl (Z)-5-octenoateFL/FR
earthy
1-nonen-3-olFL/FR
fatty
(Z)-dairy lactoneFL/FR
 ethyl undecylenateFL/FR
4-methyl octanoic acidFL/FR
floral
 cocoa pentenalFL/FR
 geranyl phenyl acetateFL/FR
alpha-isomethyl ionone (50% min.)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 orris rhizome resinoid (iris pallida)FL/FR
 rhodinolFL/FR
fruity
 acetoin acetateFL/FR
 acetyl methyl anthranilateFL/FR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
isobutyl benzoateFL/FR
 cherry oxyacetateFL/FR
gamma-decalactoneFL/FR
 dimethyl anthranilateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
alpha-methyl iononeFL/FR
 tolualdehydes (mixed o,m,p)FL/FR
 vanilla carboxylateFL/FR
green
 cinnamyl alcoholFL/FR
 cocoa butenalFL/FR
(Z)-4-hepten-1-olFL/FR
(Z)-4-heptenalFL/FR
(Z)-4-heptenal diethyl acetalFL/FR
para-methyl hydratropaldehydeFL/FR
 phenoxyethyl isobutyrateFL/FR
honey
isopropyl phenyl acetateFL/FR
lactonic
gamma-octalactoneFL/FR
milky
gamma-butyrolactoneFL/FR
mushroom
3-octen-2-olFL/FR
musk
 ethylene brassylateFL/FR
dextro,laevo-musconeFL/FR
musty
2,3,5-trimethyl pyrazineFL/FR
naphthyl
2,4-dimethyl benzaldehydeFL/FR
para-methyl anisoleFL/FR
nutty
 methyl benzoxoleFL/FR
 nutty cyclohexenoneFL/FR
2,3,5,6-tetramethyl pyrazineFL/FR
powdery
ortho-acetanisoleFL/FR
 acetophenoneFL/FR
beta-naphthyl ethyl etherFL/FR
rummy
 vanillyl ethyl etherFL/FR
sour
 butyric acidFL/FR
spicy
para-anisyl formateFL/FR
sumatra benzoin absoluteFL/FR
siam benzoin absoluteFL/FR
 spicy acetoacetateFL/FR
 zingeroneFL/FR
sweet
 cyclohexyl acetic acidFL/FR
 vanilla bean absolute (vanilla spp.)FL/FR
 vanilla oleoresin baliFL/FR
 vanilla resinoidFL/FR
 vanilla tahitensis fruit extractFL/FR
toasted
 acetyl propionylFL/FR
tomato
 methionalFL/FR
tropical
 curcuma amada roxb. rhizome oil CO2 extractFL/FR
vanilla
 acetovanilloneFL/FR
 ethyl vanillinFL/FR
 ethyl vanillin isobutyrateFL/FR
 ethyl vanillin propylene glycol acetalFL/FR
4-methyl guaiacolFL/FR
omega-pentadecalactoneFL/FR
 propenyl guaetholFL/FR
 vanilla aromatica fruit extractFL/FR
 vanilla bean absolute (vanilla planifolia)FL/FR
 vanilla bean absolute CO2 extract (vanilla planifolia)FL/FR
 vanilla bean oil (vanilla tahitensis)FL/FR
 vanilla bean oil CO2 extractFL/FR
 vanilla extractFL/FR
 vanilla oleoresin bourbonFL/FR
 vanilla planifolia fruit extractFL/FR
 vanilla planifolia fruit waterFL/FR
 vanilla tahitensis fruit absolute CO2 extractFL/FR
 vanillinFL/FR
 vanillin 2,3-butylene glycol acetalFL/FR
 vanillin propylene glycol acetalFL/FR
 vanillyl acetateFL/FR
 vanillyl isobutyrateFL/FR
waxy
 allyl nonanoateFL/FR
para-cresyl laurateFL/FR
 ethyl palmitateFL/FR
 methyl laurateFL/FR
2-nonanolFL/FR
 octyl butyrateFL/FR
 rhodinyl phenyl acetateFL/FR
delta-tetradecalactoneFL/FR
 undecanoic acidFL/FR
woody
4-ethyl guaiacolFL/FR
ortho-guaiacolFL/FR
 guaiacwood oilFL/FR
 guaiacyl acetateFL/FR
(E)-beta-iononeFL/FR
alpha-ironeFL/FR
 methyl ionyl acetateFL/FR
 
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Potential Uses:
 vanillaFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
2-(3'-methoxy-4'-hydroxyphenyl)-4,4,6-trimethyl-1,3-dioxane
2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)phenol
 phenol, 2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)-
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Articles:
 None found yet.
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