butyl lactate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :butyl 2-hydroxypropanoate
InChI :InChI=1/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3
InChIKey :MRABAEUHTLLEML-UHFFFAOYAE
SMILES :CCCCOC(=O)C(C)O
(EINECS) number :205-316-4
cas number :138-22-7
beilstein number :1721597
fema number :2205
coe number :372
jecfa number :932
fl. number :09.434
molar refractivity :37.74 ± 0.3 cm3
parachor :349.4 ± 4.0 cm3
index of refraction :1.432 ± 0.02
surface tension :33.3 ± 3.0 dyne/cm
density :1.005 ± 0.06 g/cm3
polarizability :14.96 ± 0.5 10-24cm3
xlogp : 1.10
molecular weight : 146.1842600
formula :C7 H14 O3
BioActivity Analysis :72500
 
 
IUPAC name :butyl (2R)-2-hydroxypropanoate
InChI :InChI=1/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3/t6-/m1/s1
InChIKey :MRABAEUHTLLEML-ZCFIWIBFBD
SMILES :CCCCOC(=O)[C@@H](C)O
cas number :138-22-7
molar refractivity :37.74 ± 0.3 cm3
parachor :349.4 ± 4.0 cm3
index of refraction :1.432 ± 0.02
surface tension :33.3 ± 3.0 dyne/cm
density :1.005 ± 0.06 g/cm3
polarizability :14.96 ± 0.5 10-24cm3
xlogp : 1.10
molecular weight : 146.1842600
formula :C7 H14 O3
 
 
IUPAC name :butyl (2S)-2-hydroxypropanoate
InChI :InChI=1/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChIKey :MRABAEUHTLLEML-LURJTMIEBB
SMILES :CCCCOC(=O)[C@H](C)O
(EINECS) number :252-036-3
cas number :34451-19-9
beilstein number :1721597
fema number :2205
coe number :372
molar refractivity :37.74 ± 0.3 cm3
parachor :349.4 ± 4.0 cm3
index of refraction :1.432 ± 0.02
surface tension :33.3 ± 3.0 dyne/cm
density :1.005 ± 0.06 g/cm3
polarizability :14.96 ± 0.5 10-24cm3
xlogp : 1.10
molecular weight : 146.1842600
formula :C7 H14 O3
 
 
export tariff code :unspecified
fda reg :unspecified
 
Suppliers :
Cargill - Alfrebro :n-BUTYL LACTATE
 natural, Kosher
 
Fleurchem :butyl lactate
 natural
 
Fontarome Chemical :BUTYL LACTATE SYNTHETIC
 
Sigma-Aldrich-SAFC :Butyl lactate
 98%, natural, US
 
 
organoleptics :
odor type :creamy
odor strength :medium
odor description :
at 100.00 %.  		creamy fruity fermented mushroom waxy
properties :
appearence :colorless clear liquid
assay : 94.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.98400 @ 25.00 °C.
refractive index :1.42100 @ 20.00 °C.
melting point : -28.00 °C. @ 760.00 mm Hg
boiling point : 185.00 - 187.00 °C. @ 760.00 mm Hg
logp : 0.88
safety :
Oral Toxicity(LD50) : Oral-Rat    >5.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
  
flash point ( Deg. F. ) : 157.00  °F.  TCC  ( 69.44 °C. )
  
recommendation for butyl lactate usage levels up to :
  1.0000 % in the fragrance concentrate.
  
recommendation for butyl lactate usage levels up to :
  20.0000 ppm in the flavor.
  
safety links :
(EINECS) number :205-316-4
rtecs :OD4025000 for 138-22-7
chemidplus :000138227
epa-srs :138-22-7
dtp/nci :8409
  
chemidplus :5362397
epa-srs :138-22-7
  
(EINECS) number :252-036-3
rtecs :OD4025000 for 34451-19-9
chemidplus :034451199
epa-srs :34451-19-9
  
EPI System :Click here
other :
 
references :
jecfa number :932
fl. number :09.434
pubchem :151894
NIST Chemistry WebBook :1854883069
  
pubchem :43596635
  
pubchem :694886
  
synonyms :
 butyl 2-hydroxypropanoate
 butyl alpha-hydroxypropionoate
 butyl lactate
N-butyl lactate
2-hydroxypropanoic acid butyl ester
 lactic acid butyl ester
soluble in :
 alcohol
 paraffin oil
 water, 40000 mg/L @ 20C
insoluble in :
 water
(odor and/or flavor) blends with :
 acetyl isovaleryl
(E)-benzyl tiglate
 butyl laevo-lactate
 butyric acid
 coconut decanone
 dairy lactone
delta-decalactone
gamma-decalactone
(E)-2-decen-1-al
1-decen-3-ol
 dibenzyl ether
 dimethyl sulfoxide
6,8-dimethyl-2-nonanol
 ethyl palmitate
 ethyl undecylenate
 heptanal 2,3-butane diol acetal
 herbal pyran
(Z)-3-hexen-1-yl tiglate
 leaf acetal
 massoia bark oil
 melon acetal
 methyl (Z)-5-octenoate
 methyl 2-furoate
 methyl laurate
4-methyl octanoic acid
tris(methyl thio) methane
1-(methyl thio)-2-butanone
 methyl thiol isovalerate
2-naphthyl mercaptan
(Z)-3-nonen-1-ol
1-nonen-3-ol
 nonyl octanoate
gamma-octalactone
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
 vanillic acid
 vanillyl isobutyrate
(odor and/or flavor) used in :
 caramel
 coconut
 cream
 fat
 milk
 mushroom
 nut
 toffee
 vanilla
natural occurrence in :
cider
cognac
wine white wine



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