acetaldehyde methyl hexyl acetal
hexane, 1-(1-methoxyethoxy)-
 
Notes:
Fruit topnotes.
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CAS Number: 54340-90-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 259-114-6
Nikkaji Web: J112.976G
XlogP3-AA: 2.80 (est)
Molecular Weight: 160.25680000
Formula: C9 H20 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.82500 to 0.84500 @  25.00 °C.
Pounds per Gallon - (est).: 6.865 to  7.031
Refractive Index: 1.39500 to 1.41500 @  20.00 °C.
Boiling Point: 176.00 to  177.00 °C. @ 760.00 mm Hg (est)
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 1.474000 mm/Hg @ 25.00 °C. (est)
Flash Point: 105.00 °F. TCC ( 40.60 °C. ) (est)
logP (o/w): 2.550 (est)
Soluble in:
 alcohol
 water, 352.3 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 alkalis
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Organoleptic Properties:
 
Odor Type: green
 
Odor Strength: medium
 
Substantivity: 4 hour(s) at 100.00 %
 
 green  cortex  herbal  nasturtium  
Odor Description:
at 100.00 %. 
green cortex herbal nasturtium
Luebke, William tgsc, (1986)
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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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
Recommendation for acetaldehyde methyl hexyl acetal usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Recommendation for acetaldehyde methyl hexyl acetal flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 54340-90-8
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 108237
National Institute of Allergy and Infectious Diseases: Data
 1-(1-methoxyethoxy)hexane
Chemidplus: 0054340908
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References:
 1-(1-methoxyethoxy)hexane
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 108237
Pubchem (sid): 135066722
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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
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
(E)-tiglaldehyde 
acidic
2-methyl-2-pentenoic acid 
animal
 methyl (E)-2-octenoate 
balsamic
isoamyl benzoate 
 methyl (E)-cinnamate 
 methyl cinnamate 
caramellic
 ethyl maltol 
 strawberry furanone 
citrus
2-heptanol 
ethereal
2-methyl valeraldehyde 
fatty
3-decen-2-one 
 hexyl pivalateFR
 methyl (E)-2-hexenoate 
 methyl 2-hexenoate 
fermented
 hexanal diethyl acetal 
3-methyl-1-pentanol 
floral
alpha-amyl cinnamaldehyde diethyl acetalFR
 citronellyl propionate 
gamma-damasconeFR
6,8-dimethyl-2-nonanolFR
(E)-geranyl acetone 
 heliotropyl acetate 
 hexyl 2-furoate 
 lily propanolFR
 nerolin fragarol 
bitter orangeflower absolute morocco 
bitter orangeflower absolute tunisia 
 papaya isobutyrate 
 phenethyl butyrate 
 propyl anthranilate 
laevo-rose oxide 
fresh
3-(3-propen-2-yl phenyl) butanalFR
fruity
 acetaldehyde dihexyl acetal 
 acetyl methyl anthranilate 
 allyl amyl glycolateFR
 allyl butyrate 
isoamyl butyrate 
 amyl formate 
 amyl hexanoate 
isoamyl isovalerate 
isoamyl octanoate 
 apple crotonateFR
 berry pentadienoate 
 butyl 2-decenoate 
 butyl isobutyrate 
 butyl isovalerate 
isobutyl propionate 
isobutyl-3-(methyl thio) butyrate 
 cherry pentenoate 
2-cyclopentyl cyclopentanone 
 diethyl malonate 
 dimethyl succinate 
 ethyl (E)-2-decenoate 
 ethyl (E)-4-octenoateFR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-octenoate 
 ethyl 3-acetoxyhexanoate 
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetate 
 ethyl cyclohexane propionate 
 ethyl methyl-para-tolyl glycidate 
 fruity ketal 
 geranyl isovalerate 
 heptanal cyclic ethylene acetalFR
 heptyl isobutyrate 
 hexanal propylene glycol acetal 
2-hexen-1-ol 
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
(E)-3-hexen-1-yl acetate 
(Z)-3-hexen-1-yl isobutyrate 
2-hexenyl cyclopentanyl acetateFR
 hexyl (E)-tiglate 
 hexyl acetate 
 hexyl isovalerate 
 hexyl propionate 
 leather propionateFR
 linalyl hexanoate 
3-mercaptohexyl acetate 
 methyl (E,Z)-2,4-decadienoate 
 methyl 2-octenoate 
 methyl 3-nonenoate 
2-methyl butyl 2-methyl butyrate 
 methyl heptanoate 
 methyl nonanoate 
 methyl propionate 
 methyl valerate 
 nerolidyl isobutyrateFR
 neryl isobutyrate 
 octen-1-yl cyclopentanone 
(Z)-3-octen-1-yl propionate 
 octyl butyrate 
 pear valerateFR
2-pentyl furan 
3-phenyl propyl isovalerate 
 phenyl propyl valerate 
4-phenyl-2-butyl acetate 
 pineapple pentenoate 
 prenol 
 prenyl ethyl ether 
 prenyl hexanoate 
isopropyl 2-methyl butyrate 
 propyl 2,4-decadienoate 
 propyl acetate 
 propyl heptanoate 
isopropyl isobutyrate 
 rhubarb undecaneFR
 strawberry glycidate 1 (aldehyde C-16 (so-called)) 
 strawberry glycidate 2 
 tetrahydrofurfuryl butyrate 
 tropical indeneFR
 tropical thiazole 
green
 acetaldehyde benzyl 2-methoxyethyl acetal 
 acetaldehyde ethyl phenethyl acetal 
isoamyl formate 
 butyl 2-methyl butyrate 
 cognac heptanone 
 cortex pyridine 
homocuminic aldehydeFR
alpha-decalactone 
 ethyl (E,Z)-2,4-decadienoate 
 ethyl (E)-2-hexenoate 
 ethyl (E)-4-decenoate 
 fern fragranceFR
 fern specialtyFR
 galbanum oil 
 galbanum oil terpeneless 
 green dioxolaneFR
 heptyl acetate 
(Z)-3-hexen-1-yl (E)-2-hexenoate 
(Z)-3-hexen-1-yl (Z)-3-hexenoate 
(E)-2-hexen-1-yl acetate 
(Z)-3-hexen-1-yl acetate 
(E)-2-hexen-1-yl formate 
(Z)-3-hexen-1-yl hexanoate 
(E)-2-hexen-1-yl hexanoate 
(Z)-3-hexen-1-yl isovalerate 
(E)-2-hexen-1-yl isovalerate 
(E)-2-hexen-1-yl propionate 
(Z)-3-hexen-1-yl propionate 
(Z)-3-hexen-1-yl tiglate 
(E)-2-hexen-1-yl valerate 
(Z)-3-hexen-1-yl valerate 
2-hexenyl acetate 
 hexyl butyrate 
 hexyl isobutyrate 
 hexyl octanoate 
3,6-ivy carbaldehyde 
 ivy carbaldehyde 
 ivy carbaldehyde / methyl anthranilate schiff's baseFR
2,4-ivy carbaldehyde / methyl anthranilate schiff's baseFR
english ivy leaf absoluteFR
 lilac acetaldehyde 
 manzanate (Givaudan) 
 marine specialtyFR
 melon nonenoate 
 methyl R-3-acetoxyhexanoate 
 narcissus flower absoluteFR
 nerol oxide 
3,6-nonadien-1-yl acetate 
(E,Z)-3,6-nonadien-1-yl acetate 
(E)-2-pentenal 
 phenoxyacetaldehyde 50% in benzyl alcoholFR
 phenoxyethyl isobutyrate 
3-phenyl propionaldehyde 
alpha-isopropyl phenyl acetaldehyde 
 propylene acetal 
 sorbyl isobutyrate 
 thiogeraniol 
 violet dienyneFR
herbal
 clary acetateFR
 dihexyl (E)-fumarateFR
 hexanol 
1-(2-methyl allyl oxy) heptaneFR
 tricyclodecyl acetateFR
melon
(Z)-6-nonen-1-yl acetate 
musk
 musk propanoateFR
tropical
beta-cyclocitral 
 ethyl (Z)-3-hexenoate 
waxy
9-decenoic acid 
(E,E)-2,4-dodecadien-1-ol 
 ethyl octanoate 
(E)-methyl geranate 
 octyl 2-methyl butyrate 
(E)-2-tridecen-1-yl acetate 
woody
 verdoxanFR
 woody acetateFR
 
For Flavor
 
No flavor group found for these
 acetaldehyde benzyl 2-methoxyethyl acetal 
 allyl tiglateFL
 butyl 2-methyl butyrate 
isobutyl-3-(methyl thio) butyrate 
2-cyclopentyl cyclopentanone 
alpha-decalactone 
(E,E)-2,4-dodecadien-1-ol 
 ethyl (Z)-3-hexenoate 
 ethyl 3-acetoxyhexanoate 
 ethyl cyclohexane propionate 
(E,E)-2,4-heptadien-1-olFL
 hexanal diethyl acetal 
2-hexenalFL
2-hexenal diethyl acetalFL
2-hexenyl acetate 
 hexyl (E)-2-hexenoateFL
 hexyl propionate 
 ivy carbaldehyde 
 linalyl hexanoate 
 methyl (E,Z)-2,4-decadienoate 
 methyl (E)-2-hexenoate 
 methyl (E)-cinnamate 
 methyl 2-hexenoate 
 methyl 2-octenoate 
 methyl 4-pentenoateFL
(E)-methyl geranate 
(E)-2-methyl-2-octenalFL
2-methyl-2-octenalFL
3-methyl-3-pentanolFL
(E,E)-3,5-octadien-2-oneFL
3-phenyl propyl isovalerate 
 phenyl propyl valerate 
4-phenyl-2-butyl acetate 
 prenyl ethyl ether 
 prenyl hexanoate 
 propyl anthranilate 
isopropyl isobutyrate 
alpha-isopropyl phenyl acetaldehyde 
 propylene acetal 
(E)-tiglaldehyde 
(E)-2-tridecen-1-yl acetate 
 sorbyl isobutyrate 
alliaceous
 tropical thiazole 
berry
 heptyl isobutyrate 
caramellic
 ethyl maltol 
 strawberry furanone 
citrus
 cognac heptanone 
cooling
 manzanate (Givaudan) 
earthy
1-hexen-3-yl acetateFL
estery
 ethyl acetoacetate 
 propyl acetate 
fatty
 ethyl (E)-4-decenoate 
floral
 citronellyl propionate 
(E)-geranyl acetone 
 heliotropyl acetate 
bitter orangeflower absolute morocco 
bitter orangeflower absolute tunisia 
laevo-rose oxide 
fruity
 acetyl methyl anthranilate 
isoamyl benzoate 
 amyl formate 
 amyl hexanoate 
isoamyl octanoate 
 berry pentadienoate 
 butyl 2-decenoate 
 butyl isobutyrate 
 butyl isovalerate 
isobutyl propionate 
 cherry pentenoate 
 diethyl malonate 
 dimethyl succinate 
 ethyl (E)-2-decenoate 
 ethyl (E)-2-hexenoate 
 ethyl (E)-2-octenoateFL
 ethyl 2-octenoate 
 ethyl methyl-para-tolyl glycidate 
 fruity ketal 
 furfuryl propionateFL
2-heptanol 
 hexanal propylene glycol acetal 
2-hexen-1-ol 
(Z)-3-hexen-1-yl (E)-2-hexenoate 
(E)-3-hexen-1-yl acetate 
(Z)-3-hexen-1-yl isobutyrate 
 hexyl acetate 
 lilac acetaldehyde 
 methyl (E)-2-octenoate 
 methyl (E)-3-nonenoateFL
 methyl 3-nonenoate 
2-methyl butyl 2-methyl butyrate 
 methyl heptanoate 
 methyl propionate 
 methyl valerate 
 nerolin fragarol 
 neryl isobutyrate 
 octen-1-yl cyclopentanone 
(Z)-3-octen-1-yl propionate 
 phenethyl butyrate 
 pineapple pentenoate 
 prenol 
isopropyl 2-methyl butyrate 
 strawberry glycidate 1 (aldehyde C-16 (so-called)) 
 strawberry glycidate 2 
 tetrahydrofurfuryl butyrate 
green
 acetaldehyde dihexyl acetal 
 acetaldehyde ethyl phenethyl acetal 
 allyl butyrate 
isoamyl formate 
isoamyl isovalerate 
 cortex pyridine 
3-decen-2-one 
 ethyl (E,Z)-2,4-decadienoate 
 galbanum oil 
 galbanum oil terpeneless 
 geranyl isovalerate 
 heptyl acetate 
 hexanol 
(Z)-3-hexen-1-yl (Z)-3-hexenoate 
(E)-2-hexen-1-yl acetate 
(Z)-3-hexen-1-yl acetate 
(Z)-3-hexen-1-yl hexanoate 
(E)-2-hexen-1-yl hexanoate 
(Z)-3-hexen-1-yl isovalerate 
(E)-2-hexen-1-yl isovalerate 
(Z)-3-hexen-1-yl propionate 
(E)-2-hexen-1-yl propionate 
(Z)-3-hexen-1-yl tiglate 
(E)-2-hexen-1-yl valerate 
(Z)-3-hexen-1-yl valerate 
(E)-2-hexenal diethyl acetalFL
 hexyl (E)-tiglate 
 hexyl 2-furoate 
 hexyl butyrate 
 hexyl isobutyrate 
 hexyl isovalerate 
 hexyl octanoate 
3,6-ivy carbaldehyde 
 melon nonenoate 
 methyl 2-undecynoateFL
 methyl R-3-acetoxyhexanoate 
 nerol oxide 
(E,Z)-3,6-nonadien-1-yl acetate 
3,6-nonadien-1-yl acetate 
(Z)-6-nonen-1-yl acetate 
2,4-octadienalFL
(E,E)-2,4-octadienalFL
 papaya isobutyrate 
(E)-2-pentenal 
2-pentyl furan 
 phenoxyethyl isobutyrate 
3-phenyl propionaldehyde 
melon
 propyl 2,4-decadienoate 
minty
 thiogeraniol 
rummy
(E)-2-hexen-1-yl formate 
sour
3-methyl valeric acidFL
2-methyl-2-pentenoic acid 
spicy
 methyl cinnamate 
tropical
beta-cyclocitral 
3-mercaptohexyl acetate 
vegetable
2-methyl valeraldehyde 
waxy
isoamyl butyrate 
9-decenoic acid 
 ethyl octanoate 
 octyl 2-methyl butyrate 
 octyl butyrate 
 propyl heptanoate 
whiskey
3-methyl-1-pentanol 
winey
 methyl nonanoate 
 
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Potential Uses:
 appleFR
 fresh & cleanFR
 fruitFR
 grapeFR
 greenFR
 peachFR
 pearFR
 saffronFR
 strawberryFR
 velvety 
 wineFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 acetaldehyde, methyl hexyl acetal
 hexane, 1-(1-methoxyethoxy)-
1-(1-methoxyethoxy) hexane
1-(1-methoxyethoxy)hexane
 strawberry acetal 2070 P
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