octyl oxyacetaldehyde
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IUPAC name :2-octoxyacetaldehyde
InChI :InChI=1/C10H20O2/c1-2-3-4-5-6-7-9-12-10-8-11/h8H,2-7,9-10H2,1H3
InChIKey :IJPYVMFNQLITDN-UHFFFAOYAO
SMILES :CCCCCCCCOCC=O
cas number :53488-14-5
(EINECS) number :258-582-9
molar refractivity :50.30 ± 0.3 cm3
parachor :458.5 ± 4.0 cm3
index of refraction :1.423 ± 0.02
surface tension :29.1 ± 3.0 dyne/cm
density :0.873 ± 0.06 g/cm3
polarizability :19.94 ± 0.5 10-24cm3
XlogP : 3.40
molecular weight : 172.2646000
formula :C10 H20 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :
odor type :green
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
powerful green floral sweet

properties :
appearence :colorless clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.88600 to 0.92100 @ 25.00 °C.
pounds per gallon - calc. : 7.372 to 7.664
refractive index :1.43000 to 1.45000 @ 20.00 °C.
boiling point : 100.00 °C. @ 7.00 mm Hg
boiling point : 218.00 to 219.00 °C. @ 760.00 mm Hg
flash point : 195.00  °F.  TCC  ( 90.56 °C. )
logP (o/w) : 3.08

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

safety in use :
 
recommendation for octyl oxyacetaldehyde usage levels up to :
  0.5000 % in the fragrance concentrate.
recommendation for octyl oxyacetaldehyde usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 2-octoxyacetaldehyde
(EINECS) number :258-582-9
chemidplus :053488145
EPA Substance Registry Services :53488-14-5

references :
 2-octoxyacetaldehyde
pubchem :681925

other :
synonyms :
2-octoxyacetaldehyde
 octyl oxy-acetaldehyde
(octyl oxy) acetaldehyde

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
isoamyl 3-(2-furan) propionate
 amyl benzoate
 anisyl propanal / methyl anthranilate schiff's base
 benzyl methyl ether
isobutyl benzyl carbinol
alpha-butyl cinnamaldehyde
 chrysanthemum oxide
 cinnamyl formate
 citral dimethyl acetal
 citronellyl acetate
 citronellyl propionate
 clary sage absolute
 cumin carbinol
 cuminyl acetaldehyde
 decanal propylene glycol acetal
3-decanone
(E)-4-decen-1-al
2-decen-1-al
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl butyrate
 dimethyl succinate
6,8-dimethyl-2-nonanol
 earthy acetal
 ethyl 2-benzyl butyrate
 ethyl methyl-para-tolyl glycidate
2-ethyl octine carbonate
 farnesyl acetate
 floral butanal
 flower hexene
 gardenia absolute
 gardenia concrete
 geranium oil
 geranyl acetone
 geranyl isobutyrate
 grapefruit pentanol
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 hyacinth absolute
 hydroxycitronellal diethyl acetal
 ivy carbaldehyde / methyl anthranilate schiff's base
 ivy dioxolane
 jasmin cyclopentanol
 jonquil absolute
 marine hexane
 methyl 2-undecynoate
 methyl cyclocitrone
para-methyl hydratropaldehyde
 methyl octine carbonate
4-methyl-4-phenyl pentanone
 mimosa absolute
 muguet undecadienal
 neroli oil
 nerolidol
 ocean propanal / methyl anthranilate schiff's base
 octanal dimethyl acetal
 orange leaf absolute
 papaya isobutyrate
 peach pivalate
 phenyl acetaldehyde
 phenyl acetaldehyde diisobutyl acetal
2-phenyl propionaldehyde ethylene glycol acetal
 rose butanoate
 styralyl formate
 sweet pea absolute
 terpinyl isobutyrate
 tricyclodecenyl acetate

(odor and/or flavor) used in :
 aldehydic
 floral
 green
 natural

natural occurrence in :
not found in nature



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