hexanal butane-2,3-diol acetal
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :4,5-dimethyl-2-pentyl-1,3-dioxolane
InChI :InChI=1/C10H20O2/c1-4-5-6-7-10-11-8(2)9(3)12-10/h8-10H,4-7H2,1-3H3
InChIKey :CMOJDAJROWMHLQ-UHFFFAOYAD
SMILES :CCCCCC1OC(C(O1)C)C
cas number :155639-75-1
fema number :4384
jecfa number :1737
molar refractivity :49.68 ± 0.3 cm3
parachor :451.4 ± 4.0 cm3
index of refraction :1.416 ± 0.02
surface tension :27.1 ± 3.0 dyne/cm
density :0.870 ± 0.06 g/cm3
polarizability :19.69 ± 0.5 10-24cm3
xlogp : 3.20
molecular weight : 172.2646000
formula :C10 H20 O2
 
 
export tariff code :unspecified
fda reg :unspecified
 

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

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.84500 to 0.85100 @ 25.00 °C.
pounds per gallon - calc. : 7.031 to 7.081
refractive index :1.43000 to 1.43700 @ 20.00 °C.
boiling point : 211.00 to 213.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 2.88

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 160.00  °F.  TCC  ( 71.11 °C. )
recommendation for hexanal butane-2,3-diol acetal usage levels up to :
  2.0000 % in the fragrance concentrate.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
publication number : 23.
 average usual ppmaverage maximum ppm
baked goods : --
beverages(nonalcoholic) : 0.400002.00000
beverages(alcoholic) : 0.600003.00000
breakfast cereal : --
cheese : --
chewing gum : --
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : --
fruit ices : 0.600003.00000
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : 2.0000010.00000
imitation dairy : --
instant coffee / tea : --
jams / jellies : 1.000005.00000
meat products : --
milk products : --
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : 2.00000-
soups : --
sugar substitutes : --
sweet sauces : --

safety references :
EPI System :view
 
 
 4,5-dimethyl-2-pentyl-1,3-dioxolane
chemidplus :155639-75-1
EPA Substance Registry Services :155639-75-1
NLM Chemical Carcinogenesis Research Information System :155639-75-1
NLM Developmental and Reproductive Toxicity :155639-75-1
NLM Env. Mutagen Info. Center :155639-75-1
NLM GENetic TOXicology :155639-75-1

references :
 4,5-dimethyl-2-pentyl-1,3-dioxolane
jecfa number :1737
pubchem :23292696

other :
synonyms :
 aldehyde C-6 butane-2,3-diol acetal
4,5-dimethyl-2-pentyl-1,3-dioxolane
 hexanal butane-2,3-diol acetal

soluble in :
 alcohol

insoluble in :
 water

stability :

(odor and/or flavor) blends with :
 acetoin
 acetyl isobutyryl
 allyl hexanoate
isoamyl acetoacetate
alpha-amyl cinnamyl formate
 amyl hexanoate
 amyl salicylate
para-anisyl propanal
isobutyl isovalerate
 cajuput oil
 citronellal
 cyclohexyl salicylate
2,4-decadien-1-al
3-decen-2-one
 dihydroxyacetophenone
 dimethyl benzyl carbinyl acetate
 dodecanal
 dodecanal dimethyl acetal
 elecampane root absolute
 epoxy-2-decenal
 ethyl anthranilate
 ethyl hexanoate
 fresh carbaldehyde
 furfuryl hexanoate
 guaiyl acetate
(E,E)-2,4-heptadien-1-al
 heptanal cyclic propylene acetal
 heptanol
3-heptanone
(Z)-4-hepten-1-al
2-hepten-1-al
(E)-2-hepten-1-yl acetate
2-heptyl furan
 hexanal
 hexanal butane-2,3-diol acetal
 hexanal hexyl isoamyl acetal
 hexanal octane-1,3-diol acetal
(E)-2-hexen-1-yl hexanoate
 hexyl (E)-2-hexenoate
alpha-hexyl cinnamaldehyde dimethyl acetal
 hexyl phenyl acetate
beta-ionone
 jasmin absolute chassis
 jasmin absolute pommade
 jasmin concrete italy
 jasmin concrete morocco
 jonquil absolute
 linalool
 methyl 2-hexenoate
 methyl 2-methyl butyrate
3-methyl-2-cyclopenten-1-one
 nerol oxide
(E,Z)-2,6-nonadien-1-al
2,4-nonadien-1-al
(E,Z)-3,6-nonadien-1-ol
2,4-nonadien-1-ol
(E)-2-nonen-1-al
 nonyl benzoate
(E,E)-2,4-octadien-1-al
(E)-2-octen-1-al
2-octen-1-al
(E)-2-octen-1-yl acetate
 octen-1-yl cyclopentanone
 octyl propionate
 phenyl acetaldehyde / methyl anthranilate schiff's base
 phenyl pyruvic acid
(+)-beta-pinene
 propyl heptanoate
 rhodinyl phenyl acetate
 spearmint absolute
 strawberry glycidate 1
delta-tetradecalactone
 tonka undecanone
 undecanal
isovaleraldehyde
 wormwood oil annus france

(odor and/or flavor) used in :
 green

natural occurrence in :
not found in nature



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