hydroxycitronellal dimethyl acetal
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IUPAC name :8,8-dimethoxy-2,6-dimethyloctan-2-ol
InChI :InChI=1/C12H26O3/c1-10(9-11(14-4)15-5)7-6-8-12(2,3)13/h10-11,13H,6-9H2,1-5H3
InChIKey :QCJVKUULZGKQDG-UHFFFAOYAQ
SMILES :CC(CCCC(C)(C)O)CC(OC)OC
cas number :141-92-4
(EINECS) number :205-510-9
fema number :2585
coe number :45
jecfa number :612
fl. number :06.011
molar refractivity :62.55 ± 0.3 cm3
parachor :555.4 ± 4.0 cm3
index of refraction :1.439 ± 0.02
surface tension :29.8 ± 3.0 dyne/cm
density :0.918 ± 0.06 g/cm3
polarizability :24.79 ± 0.5 10-24cm3
XlogP : 2.70
molecular weight : 218.3330400 (IUPAC)
formula :C12 H26 O3
BioActivity Analysis :117609
NMR Predictor :Predict
 
 
export tariff code :2911.00.5000
fda reg :172.515
Suppliers :
Berje :Hydroxy Citronellal Dimethyl Acetal
Inoue :HYDROXYCITRONELLAL DIMETHYL ACETAL
Penta :hydroxycitronellal dimethyl acetal
SAFC Global® :Hydroxycitronellal dimethyl acetal
≥95%, FCC
Odor:  green; floral
Vigon :Hydroxycitronellal Dimethyl Acetal
Odor:  LIGHT, FLORAL
organoleptics :
odor type :floral
odor strength :low
odor description:
at 100.00 %.  		lily rose acetate waxy green
Luebke, William tgsc, (1989)
odor sample from :Harrmann & Reimer Corporation
substantivity :400  Hour(s)
properties :
appearence :colorless clear oily liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.92400 to 0.93200 @ 25.00 °C.
pounds per gallon - calc. : 7.689 to 7.755
specific gravity :0.92500 to 0.93300 @ 20.00 °C.
pounds per gallon - calc. : 7.706 to 7.773
refractive index :1.44000 to 1.44400 @ 20.00 °C.
boiling point : 252.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 1.78
safety :
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.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg
(Shelanski & Moldovan, 1973a

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.037 (μg/capita/day)
 
recommendation for hydroxycitronellal dimethyl acetal fragrance usage levels up to :
  10.0000 % in the fragrance concentrate.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
8,8-dimethoxy-2,6-dimethyloctan-2-ol
(EINECS) number :205-510-9
RTECS :RG7900000 for cas# 141-92-4
chemidplus :000141924
EPA Substance Registry Services :141-92-4
dtp/nci :76412
references :
 
8,8-dimethoxy-2,6-dimethyloctan-2-ol
fl. number :06.011
jecfa number :612
NIST Chemistry WebBook :1987141629
pubchem :152015
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
8,8-dimethoxy-2,6-dimethyl octan-2-ol
8,8-dimethoxy-2,6-dimethyl-2-octanol
8,8-dimethoxy-2,6-dimethyloctan-2-ol
1,1-dimethoxy-3,7-dimethyl-7-octanol
7-hydroxy-3,7-dimethyl octanal dimethyl acetal
 laurine dimethyl acetal
Similar Products:    note
 acetaldehyde dimethyl acetal
 acetyl acetaldehyde dimethyl acetal
alpha-amyl cinnamaldehyde dimethyl acetal
para-anisaldehyde dimethyl acetal
 butyraldehyde dimethyl acetal
 cinnamaldehyde dimethyl acetal
 citral dimethyl acetal
 citronellal dimethyl acetal
 citronellyl oxyacetaldehyde dimethyl acetal
 cyclamen aldehyde dimethyl acetal
 decanal dimethyl acetal
 dodecanal dimethyl acetal
2-ethyl hexanal dimethyl acetal
 heliotropyl dimethyl acetal
 heptanal dimethyl acetal
 hexanal dimethyl acetal
(Z)-3-hexen-1-al dimethyl acetal
(E)-2-hexen-1-al dimethyl acetal
 hexoxyacetaldehyde dimethyl acetal
alpha-hexyl cinnamaldehyde dimethyl acetal
2-methyl undecanal dimethyl acetal
 nonanal dimethyl acetal
isononanal dimethyl acetal
(Z)-6-nonen-1-al dimethyl acetal
2-nonyn-1-al dimethyl acetal
 octanal dimethyl acetal
 phenyl acetaldehyde dimethyl acetal
2-phenyl propionaldehyde dimethyl acetal
3-phenyl propionaldehyde dimethyl acetal
 propionaldehyde dimethyl acetal
 undecanal dimethyl acetal
 valeraldehyde dimethyl acetal
soluble in :
 alcohol, slightly
 dipropylene glycol
 fixed oils
insoluble in :
 glycerin
 water
stability :
 alkalis
potential blenders :    note
 allyl cyclohexyl acetateFL/FR
isoamyl benzoateFL/FR
alpha-amyl cinnamaldehyde dimethyl acetalFL/FR
 benzyl anthranilateFL/FR
 biphenyl 
 bois de rose oilFL/FR
alpha-butyl cinnamaldehydeFL/FR
 citronellyl acetateFL/FR
 citronellyl ethoxalateFR
 citronellyl oxyacetaldehydeFL/FR
 citrus ocimenolFR
 coranolFR
para-cresyl isobutyrateFL/FR
para-cresyl phenyl acetateFL/FR
para-cresyl propionaldehydeCS
 cubeb oilFL/FR
 cumin carbinolFR
 cyclamen aldehyde / methyl anthranilate schiff's baseFR
 cyclamen homoaldehydeFR
 cyclohexyl ethyl alcoholFL/FR
 cyclohexyl propanolFR
 cyclohexyl propionateFL/FR
gamma-damasconeFR
2-decalinolFR
 decanal diethyl acetalFL/FR
(Z)-4-decen-1-alFL/FR
9-decenoic acidFL/FR
 dihydrolinaloolFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl formateFL/FR
3,6-dimethyl-3-octanolFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl formateFL/FR
(E)-ethyl geranateFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
(E,E)-farnesolFL/FR
 floral butanalFR
 floral pyranolFR
 freesia acetateFR
1-furfuryl pyrroleFL/FR
 gardenia decaloneFR
 geranium absoluteFL/FR
 geranyl acetateFL/FR
 geranyl formateFL/FR
 grape butyrateFL/FR
 hawthorn ethanolFR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
 heptyl formateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 hexyl 2-furoateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl octanoateFL/FR
 hexyl phenyl acetateFL/FR
 ho leaf oilFR
 ho wood oilFR
 hydroxycitronellalFL/FR
 hydroxycitronellal / methyl anthranilate schiff's baseFR
 hydroxycitronellal diethyl acetalFL/FR
 hydroxycitronellolFL/FR
 jasimiaFR
 jasmin cyclopentanolFR
 leather cyclohexanolFR
 leerallFR
 leerall / methyl anthranilate schiff's baseFR
 lily pentanalFR
 lily propanolFR
 lilyallFR
 lilyall / methyl anthranilate schiff's baseFR
 linaloolFL/FR
dextro-linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
 linalyl benzoateFL/FR
 linalyl cinnamateFL/FR
 linalyl propionateFL/FR
 linden blossom 
 magnolia cyclohexanolFR
 magnolia decadienalFR
 melon nonenoateFL/FR
 methoxycitronellalFR
2-methyl butyl 2-methyl butyrateFL/FR
 methyl butyl phenyl acetateFL/FR
(E)-methyl geranateFL/FR
2-methyl heptanoic acidFL/FR
2-methyl octanalFL/FR
 methyl octanoateFL/FR
2-methyl undecanal dimethyl acetalFR
 muguet butanalFR
 muguet butanolFR
 muguet carbaldehydeFR
 muguet carbinolFL/FR
 muguet carboxaldehydeFR
 muguet ethanolFR
 muguet nitrileFR
 muguet octadienolFR
 muguet propanolFR
 muguet shiseolFL/FR
 muguet undecadienalFR
 myrmac aldehydeFR
 narcissus acetateFL/FR
 neryl butyrateFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
3,6-nonadien-1-yl acetateFL/FR
 nonanalFL/FR
2-nonanolFL/FR
(E)-2-nonen-1-olFL/FR
(Z)-3-nonen-1-olFL/FR
(Z)-6-nonen-1-olFL/FR
 octanolFL/FR
(E)-2-octen-1-alFL/FR
 octyl isobutyrateFL/FR
 octyl phenyl acetateFL/FR
 ozone propanalFR
 phenethyl formateFL/FR
 phenethyl isopropyl etherFR
 phenethyl octanoateFL/FR
 phenethyl oxyacetaldehydeFR
 phenethyl tiglateFL/FR
 phenyl acetaldehyde ethylene glycol acetalFR
 phenyl glycol diacetateFR
 phenyl propyl phenyl acetateFL/FR
(Z)-rose oxideFL/FR
 rose pyranFR
alpha-terpinyl anthranilateFL/FR
(E)-2-tetradecen-1-alFL/FR
 tetrahydrolinaloolFL/FR
 tetrahydromyrcenolFR
 ylang ylang oilFL/FR
potential uses :
 lilac lilas syringa
 lily
 muguet lily of the valley
 orange blossom fleur d'oranger
natural occurrence in :    note
 not found in nature  

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