1,3-nonane diyl diacetate
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Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :1-acetyloxynonan-3-yl acetate
InChI :InChI=1/C13H24O4/c1-4-5-6-7-8-13(17-12(3)15)9-10-16-11(2)14/h13H,4-10H2,1-3H3
InChIKey :XUVKIVFZTRZJRP-UHFFFAOYAE
SMILES :CCCCCCC(CCOC(=O)C)OC(=O)C
cas number :63270-14-4
(EINECS) number :264-060-1
fema number :2783
fl. number :09.857
molar refractivity :65.78 ± 0.3 cm3
parachor :596.2 ± 4.0 cm3
index of refraction :1.438 ± 0.02
surface tension :32.1 ± 3.0 dyne/cm
density :0.975 ± 0.06 g/cm3
polarizability :26.07 ± 0.5 10-24cm3
XlogP : 3.70
molecular weight : 244.3272600
formula :C13 H24 O4
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :

properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 313.00 to 314.00 °C. @ 760.00 mm Hg
flash point : 293.00  °F.  TCC  ( 145.00 °C. )
logP (o/w) : 3.37

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

safety in use :
 
recommendation for 1,3-nonane diyl diacetate usage levels up to :
 not for fragrance use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 1-acetyloxynonan-3-yl acetate
(EINECS) number :264-060-1
chemidplus :063270144
EPA Substance Registry Services :63270-14-4

references :
 1-acetyloxynonan-3-yl acetate
fl. number :09.857
pubchem :689869

other :
synonyms :
1-acetyloxynonan-3-yl acetate
1,3-nonane diol 1,3-diacetate
1,3-nonane diol diacetate
 nonane-1,3-diyl diacetate
1,3-nonanediol 1,3-diacetate
1,3-nonanediol diacetate
1,3-nonanediyl diacetate

(odor and/or flavor) blends with :
alpha-amyl cinnamaldehyde
alpha-amyl cinnamaldehyde diethyl acetal
alpha-amyl cinnamyl acetate
alpha-amyl cinnamyl alcohol
 amyl salicylate
isoamyl salicylate
 amyris wood oil
para-anisyl alcohol
 atractylis absolute
 beeswax absolute
 benzoin resinoid
 benzyl acetate
 benzyl acetone
 benzyl alcohol
 benzyl benzoate
 benzyl phenyl acetate
 benzyl propionate
 bergamot oil
beta-bisabolol
 blood orange oil
 bois de rose oil
isobutyl benzyl carbinol
isobutyl heptanoate
isobutyl methyl ketone
2-sec-butyl thiazole
4-butyl thiazole
 butyl tiglate
 carnation absolute
 carrot seed oil spain
 chamomile isobutyrate
 chrysanthemum ketone
 cinnamyl alcohol
 cinnamyl formate
 clary sage oil
 clove bud oil
 clover nitrile
 copaiba balsam oil
 coriander seed absolute
 coriander seed oil
para-cresyl caprylate
 cuminaldehyde
 currant bud absolute black
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
 davana oil
2-decalinyl acetate
9-decen-1-ol
 dihydroisojasmonate
 dihydrojasmone
 dihydrorose oxide
 dimethyl anthranilate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl butyrate
 dimethyl benzyl carbinyl isobutyrate
 dimethyl salicylate
2,4-dimethyl-3-cyclohexene-1-methanol
 dodecanal
 ethyl 4-pentenoate
 ethyl linalool
 ethyl linalyl acetal
isoeugenyl acetate
 fennel seed oil
 fig leaf absolute
 floral pyranol
 gardenia oxide
 geranium oil africa
 geranium oil egypt
 heliotropin
 heliotropyl acetone
 heliotropyl diethyl acetal
 heptanal
2-heptanol
 heptyl formate
 herbal cyclohexane
 herbal dioxane
 herbal pyran
(E,E)-2,4-hexadien-1-ol
 hexahydrofarnesyl acetone
(E)-4-hexen-1-ol
(Z)-3-hexen-1-ol
(Z)-4-hexen-1-ol
3-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 hexyl tiglate
 hyacinth ether
 hydroxycitronellal
 indole
beta-ionol
 ionones
 jasmin absolute
 jasmin absolute concrete italy
 jasmin absolute pommade
 jasmin oil italy
 jasmin pyranol
 jasmin sambac absolute egypt
(Z)-jasmone
para-jasmone
 karo karounde absolute
 lavandin oil
 lavender absolute
 lavender absolute france
 lavender concrete
 lavender flower oil lithuania
 lavender oil france
 lavender oil greece
 lavender stem oil lithuania
 leaf acetal
 leerall
 lepidine
 linalool
laevo-linalool
 linalool oxide
 linalyl formate
 mcp acetate
 methyl anthranilate
 methyl cinnamate
 methyl cyclogeranate
 methyl dihydrojasmonate
 methyl ionones
(E)-6-methyl-3-hepten-2-one
 mimosa absolute
 muguet carboxaldehyde
 myrtle oil
beta-naphthyl ethyl ether
 narcissus absolute
 nerol
 nerolidol
 neryl acetate
 nonanal
 nonisyl formate
 ocean propanal
(Z)-beta-ocimene
(E)-2-octen-1-al
3-octen-1-yl acetate
 orange oil
 peach nitrile
 penten-1-yl cyclopentanone
2-pentyl cyclopentanone
 peony alcohol
 perillaldehyde
 petitgrain oil
 phenethyl acetate
 phenethyl isobutyrate
 phenyl acetaldehyde dimethyl acetal
3-phenyl propyl alcohol
1-phenyl propyl butyrate
isophytol
 prenyl salicylate
 privet dioxane
2-propyl thiazole
isopulegol
 raspberry ketone
 raspberry ketone acetate
 rose absolute
 rose pyran
 santall
 seaweed absolute
 strawberry glycidate 1
 styralyl butyrate
 styralyl isobutyrate
alpha-terpineol
 terpinyl isobutyrate
alpha-thujene
 timber dioxolane
 tonka bean absolute
 tropical indene
 tuberose absolute
gamma-undecalactone
10-undecen-1-al
 verymoss
 violet leaf absolute
 violet methyl carbonate
 viridiflorol
 wallflower absolute
 woody acetate
 ylang ylang oil

(odor and/or flavor) used in :
 acacia
 amber
 angel
 bellodgia
 berry
 cassie acacia farnesiana
 chypre
 clove
 colonia
 crabapple blossom
 elder blossom
 fetes
 floral
 florida breeze
 frangipanni plumeria
 fresh
 gardenia
 honeysuckle chevrefeuille
 jasmin
 jonquil narcissus jonquilla
 lifter
 lilac lilas syringa
 lily
 linden blossom limeflower tilleul
 muguet lily of the valley
 oily
 orange blossom fleur d'oranger
 oriental
 plum
 raspberry
 rose red rose
 rose white rose
 strawberry
 sweet pea pois de senteur
 tea
 tropical
 wallflower giroflee
 watery
 wistaria wisteria glycine
 woody
 ylang ylang cananga

natural occurrence in :
not found in nature



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