benzyl lactate
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IUPAC name :benzyl 2-hydroxypropanoate
InChI :InChI=1/C10H12O3/c1-8(11)10(12)13-7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3
InChIKey :ZYTLPUIDJRKAAM-UHFFFAOYAS
SMILES :CC(C(=O)OCC1=CC=CC=C1)O
cas number :2051-96-9
(EINECS) number :218-136-6
fl. number :09.317
molar refractivity :48.33 ± 0.3 cm3
parachor :402.2 ± 4.0 cm3
index of refraction :1.529 ± 0.02
surface tension :43.5 ± 3.0 dyne/cm
density :1.150 ± 0.06 g/cm3
polarizability :19.16 ± 0.5 10-24cm3
XlogP : 1.40
XlogP3-AA : 1.40
molecular weight : 180.2004800 (IUPAC)
formula :C10 H12 O3
NMR Predictor :Predict
 
 
export tariff code :2918.11.0000
fda reg :unspecified

Suppliers :
Inoue :BENZYL LACTATE
Nanjing :propanoic acid 2-hydroxy-,benzyl ester
Penta :benzyl lactate

organoleptics :
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
floral fatty butter fruity

properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.12000 to 1.14400 @ 25.00 °C.
pounds per gallon - calc. : 9.320 to 9.519
refractive index :1.51200 to 1.51800 @ 20.00 °C.
boiling point : 279.00 to 280.00 °C. @ 760.00 mm Hg
flash point : 242.00  °F.  TCC  ( 116.67 °C. )
logP (o/w) : 1.17

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.91 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3900 (μg/person/day)
Threshold of concern :1800 (μg/person/day)
Structure Class :I
 
recommendation for benzyl lactate usage levels up to :
  2.0000 % in the fragrance concentrate.
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i).
Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0) : 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0) : 10.0000050.00000
Processed fruit (04.1) : 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 5.0000025.00000
Bakery wares (07.0) : 10.0000050.00000
Meat and meat products, including poultry and game (08.0) : 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 2.0000010.00000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0) : 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 10.0000050.00000
Ready-to-eat savouries (15.0) : 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 5.0000025.00000

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
Canada Domestic Sub. List :Yes
 
 
 
 benzyl 2-hydroxypropanoate
(EINECS) number :218-136-6
chemidplus :002051969
EPA Substance Registry Services :2051-96-9
dtp/nci :72745

references :
 benzyl 2-hydroxypropanoate
fl. number :09.317
pubchem :675301

other :
synonyms :
 benzyl 2-hydroxypropanoate
2-hydroxypropanoic acid phenyl methyl ester
 phenylmethyl 2-hydroxypropanoate

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetal 318
 acetoin
 acetoin acetate
 acetyl butyryl
1-acetyl cyclohexyl acetate
 acetyl isobutyryl
 acetyl isovaleryl
 acetyl propionyl
isoamyl 3-(2-furan) propionate
 amyl angelate
isoamyl angelate
alpha-amyl cinnamaldehyde
alpha-amyl cinnamaldehyde / methyl anthranilate schiff's base
para-anisyl formate
 benzaldehyde / methyl anthranilate schiff's base
 benzyl acetate
 benzyl acetoacetate
 benzyl cinnamate
 benzyl formate
 berry hexanoate
isobutyl anthranilate
 butyl butyryl lactate
isobutyl furyl propionate
 butyl octanoate
2-butyl thiophene
 butyl undecylenate
 butyric acid
isobutyric acid
 butyroin
 chamomile isobutyrate
 chamomile propionate
 chamomile valerate
 cinnamyl benzoate
 cinnamyl formate
 citronellyl butyrate
 citronellyl hexanoate
 citronellyl isobutyrate
 citronellyl propionate
(E)-citronellyl tiglate
 clary propyl acetate
 coffee furanone
(E)-beta-damascone
(Z)-beta-damascone
beta-damascone
gamma-decalactone
2-decalinyl acetate
 decanol
(E)-4-decen-1-al
6-decenoic acid
9-decenoic acid
 decyl propionate
 diacetyl
 diacetyl trimer
5,5-dibutyl dihydrofuran-2(3H)-one
2,4-difurfuryl furan
 dihydrojasmone
alpha,alpha-dimethyl anisyl acetone
 dimethyl benzyl carbinyl acetate
S-(2,5-dimethyl-3-furyl) ethane thioate
(E+Z)-4,8-dimethyl-3,7-nonadien-2-one
delta-dodecalactone
 eriocephalus punctulatus oil
 ethyl 2-furoate
 ethyl lactate
 ethyl levulinate
4-ethyl octanoic acid
2-ethyl pyrazine
 ethyl undecanoate
 geraniol
2,3-heptane dione
2-heptanol
(Z)-4-hepten-1-al
(E)-2-hepten-1-yl acetate
 heptyl isobutyrate
3,4-hexane dione
(Z)-3-hexen-1-yl butyrate
(Z)-3-hexen-1-yl isovalerate
 hexoxyacetaldehyde dimethyl acetal
2-hexyl-4-acetoxytetrahydrofuran
 jasmin pyranone
 linalyl butyrate
 menthadienyl formate
3-mercaptohexyl acetate
 methoxymelonal
 methyl (Z)-3-hexenoate
 methyl 4-phenyl butyrate
 methyl alpha-ionone
 methyl benzyl acetate (mixed ortho-,meta-,para-)
3-methyl butyl 2-furyl butyrate
 methyl cyclogeranate
 methyl decanoate
2-methyl heptanoic acid
 methyl ionyl acetate
 methyl isobutyrate
3-(methyl thio) hexanal
3-methyl-2-cyclopenten-1-one
3-(5-methyl-2-furyl) butanal
(E)-7-methyl-3-octen-2-one
gamma-nonalactone
3-nonanon-1-yl acetate
1-octen-3-yl butyrate
 octyl heptanoate
(E)-2-pentenoic acid
 petal pyranone
 phenethyl isobutyrate
 phenethyl isovalerate
1-phenyl propyl butyrate
2-phenyl propyl isobutyrate
4-phenyl-3-buten-2-ol
2-phenyl-4-pentenal
 prenyl isobutyrate
isopropyl benzoate
 rhubarb pyran
 rose undecene
 sodium 4-methyl-2-oxovalerate
 terpinyl valerate
 tetrahydroionyl acetate
3-tetrahydrothiophenone
4-(para-tolyl)-2-butanone
 tropical ionone
(E,E)-2,4-undecadien-1-al
 valeraldehyde diethyl acetal
isovaleraldehyde diethyl acetal
isovaleraldehyde propylene glycol acetal
 waxy lactone

(odor and/or flavor) used in :
 flower
 fruit

natural occurrence in :
not found in nature



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