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) (PT) (112)
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
orders in chinese.
Penta :benzyl laurate
TCI AMERICA :Benzyl Laurate
>98.0%(GC)

organoleptics :
odor type :soapy
odor strength :low
odor description:
at 100.00 %.  
light fatty waxy soapy
Luebke, William tgsc, (1988)
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 :
Category :flavor and fragrance agents
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 fragrance 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 (EFSA, 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 (EFSA, 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 cas# 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 :
CosIng :cosmetic data
RIFM :listed
FMA :listed
synonyms :
 benzyl dodecanoate
 dodecanoic acid benzyl ester
 dodecanoic acid phenyl methyl ester
 lauric acid benzyl ester
 phenyl methyl dodecanoate
 phenylmethyl dodecanoate

Similar Products:    note
 amyl laurate
isoamyl laurate
isobutyl laurate
 citronellyl laurate
para-cresyl laurate
 decyl laurate
 ethyl laurate
 hexyl laurate
2-methyl butyl laurate
 methyl laurate
 nonyl laurate
 octyl laurate
 propyl laurate
isopropyl laurate

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

insoluble in :
 glycerin
 propylene glycol
 water

potential blenders :    note
 algae absolute greenFL/FR
 allyl amyl glycolateFR
 ambrette seed oilFL/FR
 ambroxanFL/FR
isoamyl benzoateFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
 animal carbolactoneFR
para-anisaldehydeFL/FR
 anise seed oilFL/FR
para-anisyl alcoholFL/FR
 bay leaf oilFL/FR
 benzoin resinoid siamFL/FR
 benzophenoneFL/FR
 benzyl acetateFL/FR
 benzyl benzoateFL/FR
 benzyl isoeugenolFL/FR
 benzyl salicylateFL/FR
 bois de rose oil brazilFL/FR
isobornyl acetateFL/FR
laevo-bornyl acetateFL/FR
isobutyl cinnamateFL/FR
isobutyl salicylateFL/FR
 caraway seed oilFL/FR
 carrot seed oilFL/FR
 cassia bark oil chinaFL/FR
 cedarleaf oilFL/FR
 cinnamyl alcoholFL/FR
 cistus oilFL/FR
 citronellolFL/FR
 citrus carbaldehydeFR
 clary sage oil franceFL/FR
 clove bud oilFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
 cortex pyridineFL/FR
 costus root oilFL
 costus valerolactoneFR
para-cresyl caprylateFL/FR
 cuminaldehydeFL/FR
 currant bud absolute blackFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 davana oilFL/FR
 decanal (aldehyde C-10)FL/FR
 decanolFL/FR
9-decen-1-alFL/FR
9-decen-1-olFL/FR
 decyl acetateFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl isobutyrateFR
para-dimethyl hydroquinoneFL/FR
 dodecanal (aldehyde C-12 lauric)FL/FR
 dodecanolFL/FR
 ethyl cinnamateFL/FR
 ethyl phenyl acetateFL/FR
 ethyl vanillinFL/FR
isoeugenyl acetateFL/FR
 fir balsam absoluteFR
 floral pyranolFR
 frankincense oilFL/FR
 guaiacwood oilFL/FR
 gurjun balsam oilFR
 hay absoluteFR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl diethyl acetalFR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 immortelle absoluteFL/FR
 indoleFL/FR
 labdanum resinoidFR
 leerallFR
 lilyallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 marine pyridineFR
 melon nonenoateFL/FR
 methyl benzoateFL/FR
 methyl cedryl ketoneFL/FR
 methyl dihydrojasmonateFL/FR
 methyl phenyl acetateFL/FR
 mimosa absolute franceFL/FR
 nerolidolFL/FR
 neryl acetateFL/FR
gamma-nonalactone (aldehyde C-18)FL/FR
 nonanal (aldehyde C-9)FL/FR
 nonanolFL/FR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
gamma-octalactoneFL/FR
 octanal (aldehyde C-8)FL/FR
 orris pyridine 25% ipmFR
 patchouli ethanoneFR
 patchouli oilFL/FR
 peony alcoholFR
 phenethyl phenyl acetateFL/FR
 phenethyl salicylateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propyl alcoholFL/FR
 raspberry ketone methyl etherFL/FR
 rose butanoateFL/FR
 santallFR
alpha-terpineolFL/FR
 tetrahydrolinaloolFL/FR
 tobacco dodecaneFR
 tonka bean absoluteFR
1-undecanolFL/FR
10-undecen-1-al (aldehyde C-11 undecylenic)FL/FR
10-undecen-1-yl acetateFL/FR
 vanillyl acetateFL/FR
 verymossFR
 vetiver oil haitiFL/FR
 violet leaf absoluteFL/FR
 woody acetateFR
 woody amyleneFR

potential uses :
 citrusFR
 floralFR
 herbalFR
 soapyFR
 waxy 

natural occurrence in :    note
 not found in nature  



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