octanal dimethyl acetal
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IUPAC name :1,1-dimethoxyoctane
InChI :InChI=1/C10H22O2/c1-4-5-6-7-8-9-10(11-2)12-3/h10H,4-9H2,1-3H3
InChIKey :BZOOCKAFKVYAOZ-UHFFFAOYAC
SMILES :CCCCCCCC(OC)OC
cas number :10022-28-3
(EINECS) number :233-018-4
fema number :2798
coe number :42
jecfa number :942
fl. number :06.008
molar refractivity :51.82 ± 0.3 cm3
parachor :466.7 ± 4.0 cm3
index of refraction :1.415 ± 0.02
surface tension :25.9 ± 3.0 dyne/cm
density :0.843 ± 0.06 g/cm3
polarizability :20.54 ± 0.5 10-24cm3
XlogP : 3.60
molecular weight : 174.2804800
formula :C10 H22 O2
NMR Predictor :Predict
 
 
export tariff code :2911.00.5000
fda reg :172.515

Suppliers :
Bedoukian Research :OCTANAL DIMETHYL ACETAL
≥98.0%, Kosher
Odor:  green, citrus
IFF :Octacetal
Odor:  Fresh, clean, citrus character reminiscent particularly of orange, aldehydic, ozonic, green.
Inoue :OCTANAL DIMETHYL ACETAL
John D. Walsh :Octacetal
Penta :octanal dimethyl acetal
Sigma-Aldrich-SAFC :1,1-Dimethoxyoctane
97%

organoleptics :
odor type :green
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :¹
at 100.00 %.  
citrus floral green leafy rose violet
odor sample from :Chem-Fleur, Inc.
substantivity :1 hour(s) at 100.00 %

properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.84100 to 0.85100 @ 25.00 °C.
pounds per gallon - calc. : 6.998 to 7.081
specific gravity :0.84400 to 0.85200 @ 20.00 °C.
pounds per gallon - calc. : 7.031 to 7.098
refractive index :1.41000 to 1.42000 @ 20.00 °C.
boiling point : 185.00 to 188.00 °C. @ 760.00 mm Hg
boiling point : 60.00 °C. @ 15.00 mm Hg
acid value : 3.00  max.  KOH/g
vapor pressure :0.10000 mm/Hg @ 20.00 °C.
vapor density :>1 ( Air = 1 )
flash point : 155.00  °F.  TCC  ( 68.33 °C. )
logP (o/w) : 3.27

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) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.97 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.00 (μg/capita/day)
Structure Class :I
 
recommendation for octanal dimethyl acetal usage levels up to :
  20.0000 % in the fragrance concentrate.
recommendation for octanal dimethyl acetal usage levels up to :
  3.0000 ppm in the flavor.

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
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 1,1-dimethoxyoctane
(EINECS) number :233-018-4
chemidplus :010022283
EPA Substance Registry Services :10022-28-3

references :
 1,1-dimethoxyoctane
fl. number :06.008
jecfa number :942
NIST Chemistry WebBook :652794499
pubchem :197690

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1985)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 aldehyde C-8 dimethyl acetal
 C-8 dimethyl acetal
 C-8 dimethylacetal
 capryl aldehyde dimethyl acetal
 caprylaldehyde dimethyl acetal
1,1-dimethoxyoctane
 octacetal
 octaldehyde dimethyl acetal
 resedyl acetal

soluble in :
 alcohol
 dipropylene glycol
 water, very slightly

insoluble in :
 water

stability :
 alcoholic lotion
 alkalis
 antiperspirant
 bleach
 deo stick
 detergent perborate
 fabric softener
 hard surface cleaner
 liquid detergent
 shampoo
 soap

(odor and/or flavor) blends with :
 acetaldehyde butyl phenethyl acetal
 acetaldehyde di-(Z)-3-hexen-1-yl acetal
 acetaldehyde ethyl phenethyl acetal
 allyl anthranilate
 amber carbinol
isoamyl 3-(2-furan) propionate
 amyl benzoate
isoamyl benzoate
alpha-amyl cinnamaldehyde
 amyl formate
isoamyl salicylate
para-anisyl alcohol
 anisyl propanal / methyl anthranilate schiff's base
 basil absolute sweet
 benzoin resinoid
 benzyl acetate
 benzyl methyl ether
 benzyl propionate
 benzyl salicylate
 bergamot oil bergaptene free
beta-bisabolol
 bois de rose oil
 bornyl formate
isobutyl benzyl carbinol
alpha-butyl cinnamaldehyde
 chrysanthemum oxide
 cinnamyl alcohol
 cinnamyl formate
 citral dimethyl acetal
 citronellol
 citronellyl acetate
 citronellyl propionate
 clary sage absolute
 clove bud oil
 clover nitrile
 coriander seed oil
 cumin carbinol
 cuminyl acetaldehyde
neocyclocitral
 cyclohexyl ethyl alcohol
 decanal
 decanal propylene glycol acetal
 decanol
3-decanone
(E)-4-decen-1-al
2-decen-1-al
9-decen-1-ol
 dihydrojasmone
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl butyrate
 dimethyl hydroquinone
 dimethyl succinate
6,8-dimethyl-2-nonanol
 diphenyl oxide
 dodecanal
 dodecanol
2-dodecanone
 earthy acetal
 ethyl 2-benzyl butyrate
 ethyl formate
 ethyl laurate
 ethyl methyl-para-tolyl glycidate
2-ethyl octine carbonate
 ethyl vanillin
2-ethyl-1-hexanol
 farnesyl acetate
 floral butanal
 floral pyranol
 galbanum oil terpeneless
 gardenia absolute
 gardenia oxide
 geraniol
 geranium absolute
 geranium oil
 geranyl acetone
 geranyl isobutyrate
 grapefruit pentanol
 green acetate
 heliotropin
 heliotropyl acetone
delta-heptalactone
 heptyl cinnamate
 herbal heptane
(E,E)-2,4-hexadien-1-al
(E)-2-hexen-1-al
2-hexen-1-al
3-hexen-1-al
(E)-2-hexen-1-ol
(Z)-2-hexen-1-ol
2-hexen-1-ol
3-hexen-1-ol
(E)-2-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl lactate
(Z)-3-hexen-1-yl methyl carbonate
(Z)-3-hexen-1-yl phenyl acetate
(Z)-3-hexen-1-yl salicylate
(Z)-3-hexen-1-yl tiglate
 hexoxyacetaldehyde dimethyl acetal
 hexyl 2-methyl butyrate
alpha-hexyl cinnamaldehyde
 hyacinth absolute
 hyacinth ether
 hydroxycitronellal
 hydroxycitronellal diethyl acetal
 ionones
 ivy carbaldehyde / methyl anthranilate schiff's base
 ivy dioxolane
 jasmin cyclopentanol
 jonquil absolute
 leaf acetal
 leafy acetal
 leerall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 mandarin oil uruguay
 marine hexane
 methyl 2-undecynoate
 methyl cinnamate
 methyl cyclocitrone
 methyl dihydrojasmonate
 methyl heptine carbonate
para-methyl hydratropaldehyde
 methyl ionones
 methyl isoeugenol
 methyl octine carbonate
3-methyl-3-pentanol
4-methyl-4-phenyl pentanone
 mimosa absolute
 muguet carbinol
 muguet carboxaldehyde
 muguet undecadienal
 nerol
 neroli oil
 nerolidol
(E,Z)-2,6-nonadien-1-yl acetate
 nonanal
 nonanol
1-nonen-3-ol
 oakmoss absolute
 ocean propanal
 ocean propanal / methyl anthranilate schiff's base
(E)-2-octen-1-al
(Z)-2-octen-1-al
(Z)-5-octen-1-yl propionate
 octyl acetate
 octyl isobutyrate
 octyl oxyacetaldehyde
 orange leaf absolute
 papaya isobutyrate
 peach pivalate
2-pentyl furan
 peony alcohol
 petitgrain combava oil
 phenethyl acetate
 phenethyl alcohol
 phenethyl isopropyl ether
 phenethyl oxyacetaldehyde
 phenethyl phenyl acetate
 phenethyl salicylate
 phenethyl tiglate
 phenyl acetaldehyde
 phenyl acetaldehyde diisobutyl acetal
3-phenyl propionaldehyde
2-phenyl propionaldehyde ethylene glycol acetal
2-phenyl propyl acetate
1-phenyl-2-pentanol
 plectranthus glandulosus hook f. leaf oil cameroon
isopropyl phenyl propionaldehyde
isopulegyl formate
 rhodinol
 rose butanoate
 rose leaf absolute
(Z)-rose oxide
 rose oxides
 santall
 styralyl acetate
 styralyl formate
alpha-terpineol
 terpinyl isobutyrate
 tetrahydrolinalyl acetate
 tricyclodecenyl acetate
(±)-2,4,8-trimethyl-7-nonen-2-ol
 undecanal dimethyl acetal
 undecanol
10-undecen-1-al
10-undecen-1-ol
isovaleraldehyde propylene glycol acetal
 watermelon ketone
 woody acetate

(odor and/or flavor) used in :
 aldehydic
 bergamot
 citrus
 floral
 fruit
 green
 herbal
 lemon
 lime
 mandarin
 orange
 tangerine
 topnotes
 waxy

natural occurrence in :
found in nature



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