methyl nonanoate
 
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IUPAC name :methyl nonanoate
InChI :InChI=1/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
InChIKey :IJXHLVMUNBOGRR-UHFFFAOYAA
SMILES :CCCCCCCCC(=O)OC
(EINECS) number :217-052-7
cas number :1731-84-6
beilstein number :1754521
fema number :2724
coe number :389
jecfa number :179
fl. number :09.108
molar refractivity :50.15 ± 0.3 cm3
parachor :454.7 ± 4.0 cm3
index of refraction :1.422 ± 0.02
surface tension :28.3 ± 3.0 dyne/cm
density :0.874 ± 0.06 g/cm3
polarizability :19.88 ± 0.5 10-24cm3
xlogp : 3.90
molecular weight : 172.2646000
formula :C10 H20 O2
 
 
export tariff code :unspecified
fda reg :unspecified
 

Suppliers :
Sigma-Aldrich-SAFC :Methyl nonanoate
 ≥97%, Kosher
 
 

organoleptics :
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
sweet fruity pear waxy tropical wine

properties :
appearence :colorless clear oily liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.86400 - 0.88300 @ 25.00 °C.
pounds per gallon - calc. : 7.189 to 7.347
refractive index :1.41100 - 1.43200 @ 20.00 °C.
melting point : -35.00 - -34.00 °C. @ 760.00 mm Hg
boiling point : 213.00 - 214.00 °C. @ 760.00 mm Hg
logp : 4.32

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.86 (μg/capita/day)
  
flash point ( Deg. F. ) : 184.00  °F.  TCC  ( 84.44 °C. )
  
recommendation for methyl nonanoate usage levels up to :
 not for fragrance use.
  
recommendation for methyl nonanoate usage levels up to :
  10.0000 ppm in the flavor.
  

safety links :
(EINECS) number :217-052-7
rtecs :RA6906000 for 1731-84-6
chemidplus :001731846
epa-srs :1731-84-6
  

other :
 

references :
jecfa number :179
fl. number :09.108
pubchem :158910
NIST Chemistry WebBook :4063666182
  
synonyms :
 methyl nonanoate
 methyl nonylate
 methyl pelargonate
 nonanoic acid methyl ester
 pelargonic acid methyl ester
soluble in :
 alcohol
 dipropylene glycol
 water, 23 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
 acetaldehyde methyl hexyl acetal
 allyl butyrate
 allyl heptanoate
 allyl hexanoate
 allyl nonanoate
 allyl octanoate
 allyl propionate
isoamyl 3-methyl thiopropionate
isoamyl acetoacetate
 amyl butyrate
isoamyl butyrate
 amyl hexanoate
isoamyl isobutyrate
isoamyl isovalerate
isoamyl laurate
 amyl octanoate
isoamyl propionate
isoamyl tiglate
2-amyl-5 or 6-keto-1,4-dioxane
 apple crotonate
 benzaldehyde dimethyl acetal
 benzyl isobutyrate
 berry hexanoate
 berry pentadienoate
 buchu mercaptan
isobutyl acetoacetate
isobutyl alcohol
 butyl angelate
 butyl anthranilate
 butyl hexanoate
isobutyl hexanoate
isobutyl isobutyrate
 butyl isovalerate
 butyl undecylenate
 butyl valerate
isobutyraldehyde propylene glycol acetal
 cassis pentanone
 citronellyl acetate
 clary sage concrete
 cognac oil green
 cognac oil white
 cyclohexyl carboxylic acid
 decyl butyrate
 diethyl 1-malate
 diethyl laevo-tartrate
 diethyl malate
 diethyl sebacate
 dimethyl anthranilate
 dipropyl trisulfide
 ethyl (E,Z)-2,4-decadienoate
 ethyl (E)-2-decenoate
 ethyl (E)-4-decenoate
 ethyl (E)-4-octenoate
 ethyl (Z)-3-hexenoate
 ethyl 2-cyclohexyl propionate
 ethyl 2-octenoate
 ethyl 3-octenoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl aconitate
2-ethyl butyric acid
 ethyl chrysanthemate
 ethyl cyclohexane propionate
 ethyl heptanoate
 ethyl nonanoate
 ethyl octanoate
2-ethyl-4-butanol
 farnesyl acetone
 geranyl acetoacetate
(E)-geranyl acetone
 geranyl hexanoate
 geranyl methyl tiglate
 geranyl propionate
 grapefruit menthane
 heptanal dimethyl acetal
 heptyl acetate
 hexanal diethyl acetal
2-hexanol
3-hexanone
(Z)-3-hexen-1-yl (Z)-3-hexenoate
(Z)-3-hexen-1-yl 2-methyl-2-pentenoate
(E)-2-hexen-1-yl acetate
(E)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl butyrate
2-hexen-1-yl cyclopentanyl acetate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl isobutyrate
(E)-2-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl phenyl acetate
(E)-2-hexen-1-yl propionate
(Z)-3-hexen-1-yl propionate
(Z)-3-hexen-1-yl valerate
 hexyl 2-butenoate
 hexyl 2-furoate
 hexyl 2-methyl butyrate
 hexyl 2-methyl-3-pentenoate
 hexyl isobutyrate
 hexyl phenyl acetate
 hexyl propionate
 hotrienol
2'-hydroxyacetophenone
 jambu oleoresin
 jasmin absolute
 linalyl hexanoate
 lychee mercaptan acetate
 maltyl isobutyrate
 mango thiol
 melon nonenoate
 melon octenoate
1-para-menthene-8-thiol
3-mercapto-2-butanone
3-mercaptohexyl acetate
3-mercaptohexyl butyrate
3-mercaptohexyl hexanoate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl 2-(methyl thio) butyrate
 methyl 2-methyl valerate
 methyl 2,4-decadienoate
 methyl decanoate
 methyl hydrocinnamate
 methyl octenoate
S-(methyl thio) hexanoate
 methyl thiomethyl butyrate
2-methyl-1-butanol
 musk propanoate
 nerolidyl isobutyrate
(E,Z)-3,6-nonadien-1-yl acetate
3,6-nonadien-1-yl acetate
(E)-2-nonen-1-yl acetate
(Z)-6-nonen-1-yl acetate
 nonyl acetate
beta-ocimene
(E,E)-2,4-octadien-1-al
2,4-octadien-1-al
delta-octalactone
(Z)-3-octen-1-yl propionate
2-octen-4-one
 opoponax oil
 opoponax resinoid
 passiflora acetate
 pear valerate
2-pentanone
1-penten-3-ol
 phenethyl acetate
1-phenethyl mercaptan
 phenethyl senecioate
 plum crotonate
 propionaldehyde
isopropyl 2-methyl butyrate
 propyl 2,4-decadienoate
 propyl acetate
isopropyl formate
 propyl heptanoate
 propyl hexanoate
 propyl isobutyrate
isopropyl isobutyrate
 rose butanoate
 sorbyl butyrate
 sorbyl isobutyrate
 sorbyl propionate
gamma-terpinene
 terpinyl cinnamate
 terpinyl propionate
 tetrahydrofurfuryl butyrate
 tetrahydrofurfuryl propionate
(E)-2-tridecen-1-yl acetate
S-tropical 2-thiobutyrate
 tropical 3-thiobutyrate
 tropical indene
 tropical ionone
 tropical oxathiane
 tropical thiazole
 tropical trithiane
 viridiflorol
(odor and/or flavor) used in :
 apple
 celery
 citrus
 coconut
 emollients
 grape
 hops houblon
 melon watermelon muskmelon cantaloupe
 mulberry
 nut
 orris iris
 pear
 pineapple
 plum
 plum greengage plum
 strawberry
 tonka
natural occurrence in :
apple
data pageboronia absolute @ 0.01%
butter
grape
hop oil
orris
data pageosmanthus absolute @ 0.09%
pineapple
strawberry
tobacco
wine



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