benzyl laurate
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IUPAC name :benzyl dodecanoate
InChI :InChI=1/C19H30O2/c1-2-3-4-5-6-7-8-9-13-16-19(20)21-17-18-14-11-10-12-15-18/h10-12,14-15H,2-9,13,16-17H2,1H3
InChIKey :QNRYOQRUGRVBRL-UHFFFAOYAN
SMILES :CCCCCCCCCCCC(=O)OCC1=CC=CC=C1
cas number :140-25-0
(EINECS) number :205-405-8
beilstein number :2280321
fl. number :09.315
molar refractivity :88.53 ± 0.3 cm3
parachor :746.2 ± 4.0 cm3
index of refraction :1.487 ± 0.02
surface tension :34.7 ± 3.0 dyne/cm
density :0.945 ± 0.06 g/cm3
polarizability :35.09 ± 0.5 10-24cm3
XlogP : 7.30
XlogP3-AA : 6.80
molecular weight : 290.4403000 (IUPAC)
formula :C19 H30 O2
BioActivity Analysis :474546
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Fontarome :BENZYL LAURATE
Odor:  Very faint, fatty
Inoue :BENZYL LAURATE
Nanjing :BENZYL LAURATE
Penta :benzyl laurate
TCI AMERICA :Benzyl Laurate
>98.0%(GC)

organoleptics :
odor type :soapy
odor strength :low
odor description :¹
at 100.00 %.  
light fatty waxy soapy
odor sample from :Givaudan Corporation
substantivity :96  Hour(s)

properties :
appearence :pale yellow to yellow clear liquid
assay : 95.00 to 100.00 %   
water content :<0.15%
Food Chemicals Codex Listed :No
specific gravity :0.93700 to 0.94300 @ 25.00 °C.
pounds per gallon - calc. : 7.797 to 7.847
refractive index :1.47900 to 1.48500 @ 20.00 °C.
melting point : 8.00 to 9.00 °C. @ 760.00 mm Hg
boiling point : 369.00 to 370.00 °C. @ 760.00 mm Hg
acid value : 5.00  max.  KOH/g
saponification value :183.00 to 193.00
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 6.99
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) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Oral Toxicity(LD50) :
  Oral-Rat    >5000.00  mg/kg
(Moreno, 1975m)

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

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.13 (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 laurate usage levels up to :
  15.0000 % 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
EPA Chem. Sub. Inventory : Yes
 
 
 
 benzyl dodecanoate
(EINECS) number :205-405-8
RTECS :JR3425000 for 140-25-0
chemidplus :000140250
EPA Substance Registry Services :140-25-0
dtp/nci :404342

references :
 benzyl dodecanoate
fl. number :09.315
NIST Chemistry WebBook :140250
pubchem :151943

Cosmetics :
Cosmetic uses : emollients
masking agents
perfuming agents
skin conditioning
solvents

other :
reference : Luebke, William tgsc, (1988)¹
CosIng :cosmetic data
synonyms :
 benzyl dodecanoate
 dodecanoic acid benzyl ester
 dodecanoic acid phenyl methyl ester
 lauric acid benzyl ester
 phenyl methyl dodecanoate
 phenylmethyl dodecanoate

soluble in :
 alcohol
 almond oil
 isopropyl myristate
 jojoba oil
 mineral oil

insoluble in :
 glycerin
 propylene glycol
 water

(odor and/or flavor) blends with :
 algae absolute
 allyl amyl glycolate
 ambrette seed oil
 ambroxan
isoamyl benzoate
alpha-amyl cinnamaldehyde
isoamyl salicylate
 amyris wood oil
 animal carbolactone
para-anisaldehyde
 anise seed oil
para-anisyl alcohol
 bay leaf oil
 benzoin resinoid
 benzophenone
 benzyl acetate
 benzyl benzoate
 benzyl isoeugenol
 benzyl salicylate
 bois de rose oil
isobornyl acetate
laevo-bornyl acetate
isobutyl cinnamate
isobutyl salicylate
 caraway seed oil
 carrot seed oil
 cassia bark oil
 cedarleaf oil
 cedarwood oils
 cinnamyl alcohol
 cistus oil
 citronellol
 citrus carbaldehyde
 clary sage oil
 clove bud oil
 clover nitrile
 coriander seed oil
 cortex pyridine
 costus root oil
 costus valerolactone
para-cresyl caprylate
 cuminaldehyde
 currant bud absolute black
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
 davana oil
 decanal
 decanol
9-decen-1-al
9-decen-1-ol
 decyl acetate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl isobutyrate
 dimethyl hydroquinone
 dodecanal
 dodecanol
 ethyl cinnamate
 ethyl phenyl acetate
 ethyl vanillin
isoeugenyl acetate
 fir balsam absolute
 floral pyranol
 frankincense oil
 guaiacwood oil
 gurjun balsam oil
 hay absolute
 heliotropin
 heliotropyl acetone
 heliotropyl diethyl acetal
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 hyacinth ether
 hydroxycitronellal
 immortelle absolute
 indole
 ionones
 labdanum resinoid
 leerall
 lilyall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 marine pyridine
 melon nonenoate
 methyl benzoate
 methyl cedryl ketone
 methyl dihydrojasmonate
 methyl ionones
 methyl phenyl acetate
 mimosa absolute
 musks
 nerolidol
 neryl acetate
gamma-nonalactone
 nonanal
 nonanol
 oakmoss absolute
 ocean propanal
gamma-octalactone
 octanal
 orris pyridine
 patchouli ethanone
 patchouli oil
 peony alcohol
 phenethyl phenyl acetate
 phenethyl salicylate
 phenyl acetaldehyde dimethyl acetal
3-phenyl propyl alcohol
 raspberry ketone methyl ether
 rose butanoate
 rose oxides
 santall
alpha-terpineol
 tetrahydrolinalool
 tobacco dodecane
 tonka bean absolute
 undecanol
10-undecen-1-al
10-undecen-1-yl acetate
 vanillyl acetate
 verymoss
 vetiver oil
 violet leaf absolute
 woody acetate
 woody amylene

(odor and/or flavor) used in :
 citrus
 floral
 herbal
 soapy
 waxy

natural occurrence in :
not found in nature



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