heptanal glyceryl acetal
 
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IUPAC name :(2-hexyl-1,3-dioxolan-4-yl)methanol
InChI :InChI=1/C10H20O3/c1-2-3-4-5-6-10-12-8-9(7-11)13-10/h9-11H,2-8H2,1H3
InChIKey :TYRXGKKCQUIWGI-UHFFFAOYAE
SMILES :CCCCCCC1OCC(O1)CO
(EINECS) number :216-960-0
cas number :1708-35-6
beilstein number :0108185
fema number :2542
coe number :2016
jecfa number :912
molar refractivity :51.13 ± 0.3 cm3
parachor :473.6 ± 4.0 cm3
index of refraction :1.442 ± 0.02
surface tension :36.3 ± 3.0 dyne/cm
density :0.975 ± 0.06 g/cm3
polarizability :20.27 ± 0.5 10-24cm3
xlogp : 2.20
molecular weight : 188.2640000
formula :C10 H20 O3
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :
odor type :earthy
odor strength :medium
odor description :
at 100.00 %.  
earthy fungal sweet

properties :
appearence :colorless clear viscous liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.99000 to 1.00300 @ 25.00 °C.
pounds per gallon - calc. : 8.238 to 8.346
refractive index :1.44500 to 1.45500 @ 20.00 °C.
boiling point : 271.00 to 272.00 °C. @ 760.00 mm Hg
boiling point : 100.00 °C. @ 4.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 2.18

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 270.00  °F.  TCC  ( 132.22 °C. )
recommendation for heptanal glyceryl acetal usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for heptanal glyceryl acetal usage levels up to :
  100.0000 ppm in the flavor.

safety references :
EPI System :view
 
 
 (2-hexyl-1,3-dioxolan-4-yl)methanol
(EINECS) number :216-960-0
chemidplus :001708356
EPA Substance Registry Services :1708-35-6
NLM Chemical Carcinogenesis Research Information System :1708-35-6
NLM Developmental and Reproductive Toxicity :1708-35-6
NLM Env. Mutagen Info. Center :1708-35-6
NLM GENetic TOXicology :1708-35-6

references :
 (2-hexyl-1,3-dioxolan-4-yl)methanol
jecfa number :912
pubchem :158878

other :
synonyms :
 aldehyde C-7 glyceryl acetal
 heptanal 1,2-glyceryl acetal
 heptanal cyclic (hydroxymethyl) ethylene acetal
 heptanal glyceryl acetal
 heptanal glyceryl acetal (1,2 acetal)
2-hexyl-1,3-dioxolane-4-methanol

soluble in :
 alcohol
 water, very slightly

insoluble in :
 water

(odor and/or flavor) blends with :
(E)-benzyl tiglate
 butyl lactate
 butyl laevo-lactate
(E)-2-decen-1-al
1-decen-3-ol
 dibenzyl ether
 dimethyl sulfoxide
6,8-dimethyl-2-nonanol
 earthy acetal
2-ethyl fenchol
 geosmin
 geosmin
 heptanal cyclic acetal with glycerol
 herbal pyran
(Z)-3-hexen-1-yl tiglate
 leaf acetal
 melon acetal
 methyl 10-undecenal
 methyl 2-furoate
 methyl laurate
tris(methyl thio) methane
1-(methyl thio)-2-butanone
 methyl thiol isovalerate
 methyl undecylenate
2-naphthyl mercaptan
(Z)-3-nonen-1-ol
1-nonen-3-ol
 nonyl octanoate
1,8-octane dithiol
3-octanol
3-octanone
3-octen-2-ol
(3R)-1-octen-3-ol
1-octen-3-one
1-octen-3-yl butyrate
2-octen-4-one
 octyl 2-furoate
 octyl acetate
 octyl propionate
(E)-2-penten-1-ol
2-pentyl-1-buten-3-one
 phenethyl butyl ether
 phenethyl furoate
 phenyl acetaldehyde dimethyl acetal
2-phenyl propionaldehyde dimethyl acetal
2-phenyl propionaldehyde ethylene glycol acetal

(odor and/or flavor) used in :
 earth humus
 fungus
 gardenia
 mushroom

natural occurrence in :
not found in nature



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Html Last modified 11/29/2008