2,6-dimethyl octanal
 
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IUPAC name :2,6-dimethyloctanal
InChI :InChI=1/C10H20O/c1-4-9(2)6-5-7-10(3)8-11/h8-10H,4-7H2,1-3H3
InChIKey :CBOBADCVMLMQRW-UHFFFAOYAT
SMILES :CCC(C)CCCC(C)C=O
cas number :7779-07-9
fema number :2390
coe number :112
jecfa number :273
fl. number :05.023
molar refractivity :48.48 ± 0.3 cm3
parachor :433.6 ± 4.0 cm3
index of refraction :1.419 ± 0.02
surface tension :26.1 ± 3.0 dyne/cm
density :0.815 ± 0.06 g/cm3
polarizability :19.21 ± 0.5 10-24cm3
xlogp : 4.20
molecular weight : 156.2652000
formula :C10 H20 O
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :
odor strength :medium
odor description :
at 100.00 %.  
dry grassy weedy waxy rose

properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 196.00 to 197.00 °C. @ 760.00 mm Hg
logp : 3.73

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 168.00  °F.  TCC  ( 75.56 °C. )
recommendation for 2,6-dimethyl octanal usage levels up to :
  8.0000 % in the fragrance concentrate.

safety references :
EPI System :view
 
 
 2,6-dimethyloctanal
chemidplus :007779079
EPA Substance Registry Services :7779-07-9
NLM Chemical Carcinogenesis Research Information System :7779-07-9
NLM Developmental and Reproductive Toxicity :7779-07-9
NLM Env. Mutagen Info. Center :7779-07-9
NLM GENetic TOXicology :7779-07-9

references :
 2,6-dimethyloctanal
jecfa number :273
fl. number :05.023
pubchem :204201
NIST Chemistry WebBook :3382379622

other :
synonyms :
2,6-dimethyl octanal

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 allyl cyclohexyl acetate
isoamyl benzoate
isoamyl heptanoate
isoamyl undecylenate
 bark carbaldehyde
alpha-benzylidene methional
 butyl heptanoate
sec-butyl-3-methyl but-2-ene thioate
 cassie absolute
 citronellal
 citronellol
 citronellyl acetate
 citronellyl phenyl acetate
 cyclohexyl propionate
gamma-damascone
 decanal diethyl acetal
9-decen-1-al
9-decen-1-ol
9-decenoic acid
 decyl butyrate
 dibutyl sulfide
 dimethyl benzyl carbinol
 dimethyl octanol
3,7-dimethyl-6-octenoic acid
 ethyl (E,Z)-2,4-decadienoate
 ethyl 2-octenoate
 ethyl formate
(E)-ethyl geranate
 ethyl nonanoate
2-ethyl pyridine
1-furfuryl pyrrole
3-(2-furyl) acrolein
 gardenia oxide
 geraniol
 geranium absolute
 geranyl acetate
(E)-geranyl acetone
 geranyl butyrate
 geranyl formate
 grape butyrate
 green hexanal
 green methanoindene
 hemlock western oil
(Z)-3-hepten-1-ol
3-hepten-2-one
2-heptenoic acid
3-heptyl dihydro-5-methyl-2(3H)-furanone
 heptyl formate
 heptyl heptanoate
2-heptyl tetrahydrofuran
 herbal ketone
 hexanal dihexyl acetal
(Z)-3-hexen-1-al
(Z)-3-hexen-1-yl formate
(E)-2-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl phenyl acetate
(Z)-3-hexenoic acid
 hexyl 2-furoate
 hexyl 2-methyl butyrate
 hexyl octanoate
 hexyl phenyl acetate
 hydroxycitronellal
 hydroxycitronellal dimethyl acetal
 jasmin cyclopentanol
 leafy oxime
 leather cyclohexanol
 lilac acetaldehyde
 lily pentanal
 litsea cubeba oil
 melon nonenoate
2-methyl butyl 2-methyl butyrate
 methyl butyl phenyl acetate
(E)-methyl geranate
2-methyl heptanoic acid
 methyl octanoate
3-(methyl thio) hexanal
2-methyl undecanal dimethyl acetal
2-methyl-2-penten-1-al
5-methyl-5-hexen-2-one
 mimosa absolute
 muguet carbinol
 narcissus acetate
 neryl butyrate
(E,Z)-3,6-nonadien-1-yl acetate
3,6-nonadien-1-yl acetate
2-nonanol
2-nonanone
(E)-2-nonen-1-ol
(Z)-3-nonen-1-ol
(Z)-6-nonen-1-ol
 oakmoss resin
(E,E)-3,5-octadien-2-one
 octanol
(E)-2-octen-1-al
 octyl isobutyrate
 phenethyl formate
 phenethyl isopropyl ether
 phenethyl octanoate
 phenethyl oxyacetaldehyde
 phenethyl tiglate
 phenyl acetaldehyde ethylene glycol acetal
 phenyl propyl phenyl acetate
 pine needle oil scotch siberia
 pinus sylvestris l. needle oil estonia
 pinus sylvestris l. needle oil yugoslavia
 prenyl ethyl ether
isopropyl quinoline
 propylene acetal
 rhodinol
 rose absolute
 rose butanoate
 rose oil turkey
(Z)-rose oxide
 rose pyran
 spruce needle absolute
 styralyl propionate
(E)-2-tetradecen-1-al
 tmh aldehyde
3,5,5-trimethyl hexanol
 undecanol
10-undecen-1-al
(E)-2-undecen-1-ol
2-undecen-1-ol
(E)-2-undecen-1-yl acetate
 waxy acetate

(odor and/or flavor) used in :
 floral
 grassy
 green
 herbal
 rose
 weedy
 woody

natural occurrence in :
not found in nature



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