isodecanal
 
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IUPAC name :8-methylnonanal
InChI :InChI=1/C10H20O/c1-10(2)8-6-4-3-5-7-9-11/h9-10H,3-8H2,1-2H3
InChIKey :WDMOXLRWVGEXJV-UHFFFAOYAH
SMILES :CC(C)CCCCCCC=O
(EINECS) number :215-328-1
cas number :1321-89-7
fema number :2390
coe number :112
jecfa number :273
fl. number :05.023
molar refractivity :48.52 ± 0.3 cm3
parachor :436.2 ± 4.0 cm3
index of refraction :1.421 ± 0.02
surface tension :27.0 ± 3.0 dyne/cm
density :0.816 ± 0.06 g/cm3
polarizability :19.23 ± 0.5 10-24cm3
xlogp : 4.50
molecular weight : 156.2652000
formula :C10 H20 O
 
 
export tariff code :2912.30.0000
fda reg :unspecified
 

organoleptics :
odor type :aldehydic
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
sweet floral rose lemon citrus
substantivity :340  Hour(s)

properties :
appearence :colorless clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.82530 @ 0.00 °C.
refractive index :1.42570 @ 0.00 °C.
boiling point : 82.00 to 84.00 °C. @ 15.00 mm Hg
boiling point : 169.00 °C. @ 760.00 mm Hg
logp : 3.69

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) :not determined
recommendation for isodecanal usage levels up to :
  0.2000 % in the fragrance concentrate.
recommendation for isodecanal usage levels up to :
  4.0000 ppm in the flavor.

safety links :
 
 
(EINECS) number :215-328-1
chemidplus :001321897
EPA Substance Registry Services :1321-89-7
NLM Chemical Carcinogenesis Research Information System :1321-89-7
NLM Developmental and Reproductive Toxicity :1321-89-7
NLM Env. Mutagen Info. Center :1321-89-7
NLM GENetic TOXicology :1321-89-7
EPI System :view

other :

references :
jecfa number :273
fl. number :05.023
pubchem :158126
synonyms :
isoaldehyde C-10
isocapraldehyde
isodecaldehyde
isodecanal
isodecyl aldehyde
 decyl aldehyde(iso)
2,6-dimethyl octanoic aldehyde
2,6-dimethyl-3-methylal heptane
isopropyl isoamyl acetaldehyde
 trimethyl heptanals

soluble in :
 alcohol
 water, 50 mg/L @ 25C

insoluble in :
 water

(odor and/or flavor) blends with :
 aldehydic nitrile
isoamyl geranate
isoamyl undecylenate
 atractylis root oil
 benzyl alcohol
 butyl benzyl ether
 citronellal
 citronellyl ethoxalate
 citronellyl ethyl ether
 citronellyl oxyacetaldehyde
 citronellyl propionate
 citrus carbaldehyde
 citrus propanol
(E)-alpha-damascone
(Z)-alpha-damascone
gamma-damascone
2-decen-1-al
2-decen-1-ol
(Z)-4-decen-1-yl acetate
 dihydrocarvyl acetate
 dihydrocitronellyl ethyl ether
 dihydrolinalool
(Z)-4-dodecen-1-al
 farnesyl acetate
 floral pyran
 galangal root oil
 geranium rose-scented oil (pelargonium spp.) cuba
 geranyl acetate
(E)-geranyl linalool
 ginger oleoresin
 ginger root absolute
 ginger root oil
 ginger root oil CO2 extract
 ginger root oil cochin
 ginger root oil terpeneless africa
 globulol
 hawthorn ethanol
 hotrienol
 magnolia decadienal
2-methyl octanal
 musk acetate
 neryl acetate
 neryl isovalerate
 nonanal
 nonanal / methyl anthranilate schiff's base
 nonanal diethyl acetal
 nonanol
(E)-2-nonen-1-al
 octanal dimethyl acetal
 orange peel oil bitter terpeneless
 phenethyl acetate
 phenethyl anthranilate
 phenethyl phenyl acetate
 phenethyl salicylate
 phenyl acetaldehyde
 phenyl acetaldehyde digeranyl acetal
 phenyl amyl alcohol
laevo-rose oxide
 snake root oil
 spikenard oil
 strawberry glycidate 2
 styralyl propionate
2,5,9-trimethyl-4,9-decadien-1-al
 turmeric oil
 undecanal
(Z)-8-undecen-1-al
10-undecen-1-al
(E)-2-undecen-1-ol
2-undecen-1-ol
 waxy aldehyde
 zingerone

(odor and/or flavor) used in :
 blackberry
 brandy
 cherry
 citrus
 ginger
 hops houblon
 lemon
 orange
 rose
 tangerine

natural occurrence in :
not found in nature



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