butyl lactate
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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
cas number :138-22-7
(EINECS) number :205-316-4
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
XlogP3-AA : 1.10
molecular weight : 146.1842600 (IUPAC)
formula :C7 H14 O3
BioActivity Analysis :72500
NMR Predictor :Predict
 
 
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  (R)
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
XlogP3-AA : 1.10
molecular weight : 146.1842600 (IUPAC)
formula :C7 H14 O3
NMR Predictor :Predict
 
 
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
cas number :34451-19-9
(EINECS) number :252-036-3
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
XlogP3-AA : 1.10
molecular weight : 146.1842600 (IUPAC)
formula :C7 H14 O3
NMR Predictor :Predict
 
 
export tariff code :2918.11.0000
fda reg :172.515
175.105
Suppliers :
Advanced Biotech :butyl lactate
96.5% min. natural
Odor:  Sweet, creamy, milky
Cargill :n-BUTYL LACTATE
natural, Kosher
Odor:  Creamy, Milky, Sweet, Mushroom
Fleurchem :butyl lactate
natural
Fontarome :BUTYL LACTATE
SYNTHETIC
Odor:  Faint buttery, fruity odor, caramellic undertones
Grau Aromatics :BUTYL-LACTATE
NI, Kosher
Inoue :BUTYL LACTATE
Penta :butyl lactate
natural
Vigon :Butyl Lactate
organoleptics :
odor type :creamy
odor strength :medium
odor description:
at 100.00 %.  		creamy fruity fermented mushroom waxy
odor description:
Creamy, dairy, milky, earthy, ketonic, waxy, Iactonic, vanilla and cheesy
Mosciano, Gerard P&F 23, No. 1, 33, (1998)
taste description:
at 20.00 ppm.  		Dairy, creamy, milky, coconut and nutty
Mosciano, Gerard P&F 23, No. 1, 33, (1998)
properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.97400 to 0.98400 @ 25.00 °C.
pounds per gallon - calc. : 8.105 to 8.188
refractive index :1.41800 to 1.42400 @ 20.00 °C.
melting point : -28.00 °C. @ 760.00 mm Hg
boiling point : 185.00 to 187.00 °C. @ 760.00 mm Hg
boiling point : 76.00 °C. @ 6.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.40000 mm/Hg @ 20.00 °C.
flash point : 157.00  °F.  TCC  ( 69.44 °C. )
logP (o/w) : 0.88
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Human experience : 1 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 727, 1979.

Oral-Rabbit    >5000.00  mg/kg
International Journal of Toxicology. Vol. 17

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 727, 1979.

Subcutaneous-Rat  12000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 727, 1979.

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :320.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :24.00 (μg/capita/day)
Structure Class :I
 
recommendation for butyl lactate fragrance usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for butyl lactate flavor usage levels up to :
  20.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
NIOSH Pocket Guide :search
Cancer Citations :Search
Toxicology Citations :Search
NLM Developmental and Reproductive Toxicity :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
butyl 2-hydroxypropanoate
(EINECS) number :205-316-4
RTECS :138-22-7
chemidplus :000138227
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :138-22-7
dtp/nci :8409
 
butyl (2R)-2-hydroxypropanoate
 
 
 
butyl (2S)-2-hydroxypropanoate
(EINECS) number :252-036-3
RTECS :OD4025000 for cas# 34451-19-9
chemidplus :034451199
EPA Substance Registry Services :34451-19-9
references :
 
butyl 2-hydroxypropanoate
fl. number :09.434
jecfa number :932
NIST Chemistry WebBook :1854883069
pubchem :151894
 
butyl (2R)-2-hydroxypropanoate
pubchem :43596635
 
butyl (2S)-2-hydroxypropanoate
pubchem :694886
Cosmetics :
Cosmetic uses : masking agents
solvents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 butyl 2-hydroxypropanoate
 butyl alpha-hydroxypropionoate
N-butyl lactate
2-hydroxypropanoic acid butyl ester
 lactic acid butyl ester
Similar Products:    note
 amyl lactate
isoamyl lactate
 benzyl lactate
 butyl butyryl lactate
isobutyl lactate
sec-butyl lactate
 butyl laevo-lactate
 cetyl lactate
 dodecyl lactate
 ethyl acetyl lactate
 ethyl butyryl lactate
 ethyl lactate
 ethyl phenyl lactate
(Z)-3-hexen-1-yl lactate
 hexyl lactate
laevo-menthyl lactate
 menthyl methyl lactate
 methyl dextro-lactate
 methyl laevo-lactate
 phenethyl lactate
 propyl lactate
 vanillyl lactate
soluble in :
 alcohol
 paraffin oil
 water, 40000 mg/L @ 20C
insoluble in :
 water
potential blenders :    note
 acetyl isovalerylFL
(E)-benzyl tiglateFL/FR
 butyl laevo-lactateFL/FR
 butyric acidFL
 coconut decanoneFR
 dairy lactoneFL/FR
delta-decalactoneFL/FR
gamma-decalactoneFL/FR
(E)-2-decen-1-alFL/FR
1-decen-3-olFL/FR
 dibenzyl etherFL/FR
 dimethyl sulfoxideFL
6,8-dimethyl-2-nonanolFR
 ethyl palmitateFL/FR
 ethyl undecylenateFL/FR
 heptanal 2,3-butane diol acetalFL
 herbal pyranFR
(Z)-3-hexen-1-yl tiglateFL/FR
 leaf acetalFL/FR
 massoia bark oilFL
 melon acetalFL/FR
 methyl (Z)-5-octenoateFL
 methyl 2-furoateFL/FR
 methyl laurateFL/FR
4-methyl octanoic acidFL
tris(methyl thio) methaneFL
1-(methyl thio)-2-butanoneFL
 methyl thiol isovalerateFL
2-naphthyl mercaptanFL
(Z)-3-nonen-1-olFL/FR
1-nonen-3-olFL/FR
 nonyl octanoateFL/FR
gamma-octalactoneFL/FR
1,8-octane dithiolFL
3-octanolFL/FR
3-octanoneFL/FR
3-octen-2-olFL/FR
(3R)-1-octen-3-olFL/FR
1-octen-3-oneFL/FR
1-octen-3-yl butyrateFL/FR
2-octen-4-oneFL/FR
 octyl 2-furoateFL
 octyl acetateFL/FR
 octyl propionateFL/FR
(E)-2-penten-1-ol 
2-pentyl-1-buten-3-oneFL
 phenethyl butyl etherFR
 phenethyl furoateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
2-phenyl propionaldehyde dimethyl acetalFL/FR
2-phenyl propionaldehyde ethylene glycol acetalFR
 vanillic acidFL/FR
 vanillyl isobutyrateFL/FR
potential uses :
 caramel
 coconut
 cream
 fat
 milk
 mushroom
 nut
 toffee
 vanilla
natural occurrence in :    note
 cider  
 cognac  
 wine white wine  

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