methyl decanoate
Suppliers  organoleptics  properties  safety  references    Home Page
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :methyl decanoate
InChI :InChI=1/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
InChIKey :YRHYCMZPEVDGFQ-UHFFFAOYAQ
SMILES :CCCCCCCCCC(=O)OC
cas number :110-42-9
(EINECS) number :203-766-6
beilstein number :1759170
coe number :2304
fl. number :09.251
molar refractivity :54.78 ± 0.3 cm3
parachor :494.5 ± 4.0 cm3
index of refraction :1.426 ± 0.02
surface tension :28.7 ± 3.0 dyne/cm
density :0.872 ± 0.06 g/cm3
polarizability :21.71 ± 0.5 10-24cm3
XlogP : 4.50
molecular weight : 186.2911800
formula :C11 H22 O2
BioActivity Analysis :70152
NMR Predictor :Predict
 
 
export tariff code :2915.90.8000
fda reg :unspecified

Suppliers :
Cargill - Alfrebro :METHYL DECANOATE
natural, Kosher
Grau Aromatics :METHYL-CAPRATE (METHYL-DECANOATE)
NI, Kosher
Inoue :METHYL DECANOATE
Penta :methyl caprate
natural
Penta :methyl decanoate
Sigma-Aldrich-SAFC :Methyl decanoate
≥99%
Odor:  oily; fruity; wine-like

organoleptics :
odor type :fermented
odor strength :medium
odor description :
at 100.00 %.  
oily wine fruity floral

properties :
appearence :colorless clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.87300 @ 25.00 °C.
refractive index :1.42500 @ 20.00 °C.
melting point : -14.00 to -11.00 °C. @ 0.00 mm Hg
boiling point : 108.00 °C. @ 10.00 mm Hg
boiling point : 224.00 °C. @ 760.00 mm Hg
vapor pressure :0.03700 mm/Hg @ 25.00 °C.
flash point : 202.00  °F.  TCC  ( 94.44 °C. )
logP (o/w) : 4.41

safety :
Oral Toxicity(LD50) :
  Oral-Rat    >2000.00  mg/kg
(Kästner, 2000b)

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

safety in use :
 
recommendation for methyl decanoate usage levels up to :
  1.0000 % in the fragrance concentrate.

safety references :
EPI System :view
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 methyl decanoate
(EINECS) number :203-766-6
RTECS :HD9830000 for 110-42-9
chemidplus :000110429
EPA Substance Registry Services :110-42-9
dtp/nci :3713

references :
 methyl decanoate
fl. number :09.251
NIST Chemistry WebBook :1244957113
pubchem :151168

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 capric acid methyl ester
 decanoic acid methyl ester
 methyl caprate
 methyl caprinate

soluble in :
 alcohol
 water, 4.41 mg/L @ 20C

insoluble in :
 water

(odor and/or flavor) blends with :
 acetal 318
1-acetyl cyclohexyl acetate
 allyl nonanoate
isoamyl 3-(2-furan) propionate
isoamyl acetoacetate
 amyl angelate
isoamyl angelate
alpha-amyl cinnamaldehyde
isoamyl laurate
 amyl octanoate
isoamyl tiglate
2-amyl-5 or 6-keto-1,4-dioxane
para-anisyl formate
 benzaldehyde / methyl anthranilate schiff's base
 benzaldehyde dimethyl acetal
 benzyl acetate
 benzyl acetoacetate
 benzyl cinnamate
 benzyl formate
 berry hexanoate
isobutyl acetoacetate
isobutyl alcohol
 butyl angelate
 butyl anthranilate
isobutyl anthranilate
isobutyl furyl propionate
 butyl hexanoate
2-butyl thiophene
 butyl undecylenate
isobutyraldehyde propylene glycol acetal
 chamomile isobutyrate
 chamomile propionate
 chamomile valerate
 cinnamyl formate
 citronellyl butyrate
 citronellyl hexanoate
 citronellyl isobutyrate
 citronellyl propionate
(E)-citronellyl tiglate
 clary propyl acetate
 clary sage concrete
 cognac oil green
 cognac oil white
(E)-beta-damascone
(Z)-beta-damascone
beta-damascone
2-decalinyl acetate
 diethyl 1-malate
 diethyl laevo-tartrate
 diethyl malate
 diethyl sebacate
2,4-difurfuryl furan
 dihydrojasmone
 dimethyl anthranilate
 dimethyl benzyl carbinyl acetate
S-(2,5-dimethyl-3-furyl) ethane thioate
(E+Z)-4,8-dimethyl-3,7-nonadien-2-one
 eriocephalus punctulatus oil
 ethyl 2-furoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl aconitate
 ethyl chrysanthemate
 ethyl heptanoate
 ethyl levulinate
 ethyl nonanoate
 ethyl octanoate
4-ethyl octanoic acid
2-ethyl-4-butanol
 farnesyl acetone
 geraniol
 geranyl acetoacetate
 heptanal
2-heptanol
 heptyl isobutyrate
2-hexanol
(Z)-3-hexen-1-yl butyrate
(Z)-3-hexen-1-yl isovalerate
 hexoxyacetaldehyde dimethyl acetal
 hexyl isobutyrate
 hexyl phenyl acetate
2-hexyl-4-acetoxytetrahydrofuran
 menthadienyl formate
3-mercaptohexyl acetate
ortho-methoxybenzyl ethyl ether
 methoxymelonal
 methyl (Z)-3-hexenoate
 methyl 4-phenyl butyrate
 methyl alpha-ionone
 methyl benzyl acetate (mixed ortho-,meta-,para-)
 methyl cyclogeranate
 methyl hydrocinnamate
alpha-isomethyl ionone (90% min.)
 methyl ionyl acetate
 methyl isobutyrate
 methyl nonanoate
2-methyl-1-butanol
(E)-7-methyl-3-octen-2-one
3-nonanon-1-yl acetate
 opoponax oil
 opoponax resinoid
 orris root concrete
2-pentanone
 petitgrain lemon oil
 phenethyl isobutyrate
 phenethyl isovalerate
 phenethyl senecioate
1-phenyl propyl butyrate
2-phenyl propyl isobutyrate
4-phenyl-3-buten-2-ol
2-phenyl-4-pentenal
 propionaldehyde
isopropyl benzoate
 propyl heptanoate
 rhubarb pyran
 rose oil
 rose undecene
 sorbyl butyrate
 sorbyl propionate
 terpinyl cinnamate
 terpinyl valerate
 tetrahydroionyl acetate
4-(para-tolyl)-2-butanone
 tropical ionone

(odor and/or flavor) used in :
 floral
 fruit
 oily
 wine

natural occurrence in :
data pagechampaca concrete @ trace%
data pageosmanthus absolute @ trace%
data pagestar fruit oil cuba @ 0.10%



information only - not sold by The Good Scents Company.



Please share your Information / Comments.

Your email Address:



Top of Page          The Good Scents Company Home

Copyright © 1980-2009 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 08/04/2009