methyl benzoate
Notes :
Gives good body.
 
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IUPAC name :methyl benzoate
InChI :InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey :QPJVMBTYPHYUOC-UHFFFAOYAK
SMILES :COC(=O)C1=CC=CC=C1
(EINECS) number :202-259-7
cas number :93-58-3
fema number :2683
coe number :260
jecfa number :851
fl. number :09.725
molar refractivity :38.02 ± 0.3 cm3
parachor :312.1 ± 4.0 cm3
index of refraction :1.509 ± 0.02
surface tension :36.1 ± 3.0 dyne/cm
density :1.069 ± 0.06 g/cm3
polarizability :15.07 ± 0.5 10-24cm3
xlogp : 2.00
molecular weight : 136.1479200
formula :C8 H8 O2
BioActivity Analysis :74890
 
 
fda reg :172.515 h. number :2916.31.20
organoleptics : 
odor type :phenolic
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
phenolic wintergreen almond floral cananga
taste description³ :at 30.00 ppm.  
Phenolic and cherry pit with a camphoraceous nuance
substantivity :4  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.08500 - 1.08800 @ 25.00 °C.
pounds per gallon - calc. : 9.028 to 9.053
refractive index :1.51600 - 1.51800 @ 20.00 °C.
melting point : -13.00 - -12.00 °C. @ 760.00 mm Hg
boiling point : 198.00 - 199.00 °C. @ 760.00 mm Hg
boiling point : 112.00 - 113.00 °C. @ 50.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 2.12
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) : Xn - Harmful.
  
Oral Toxicity(LD50) : Oral-Rat    1177.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 181.00  °F.  TCC  ( 82.78 °C. )
  
limits in the finished product for - "leave on the skin contact" :
  0.5000 % Recommendation.
  
limits in the finished product for - "wash off the skin contact" :
  0.5000 % Recommendation.
  
limits in the finished product for - "no skin contact" :
  4.0000 % Recommendation.
  
recommendation for methyl benzoate usage levels up to :
  4.0000 % in the fragrance concentrate.
  
recommendation for methyl benzoate usage levels up to :
  60.0000 ppm in the flavor.
  
safety links : 
msds :msds
  
(EINECS) number :202-259-7
rtecs :DH3850000 for 93-58-3
chemidplus :000093583
epa-srs :93-58-3
dtp/nci :9394
  
other : 
  C of A
references : 
pubchem :150188
  
reference : Mosciano, Gerard P&F 19, No. 5, 79, (1994)³
synonyms :
 benzoic acid methyl ester
 methyl benzene carboxylate
 methyl benzoate
 niobe oil
soluble in :
 alcohol
 fixed oils
 kerosene
 paraffin oil, cloudy
 water, 2100 mg/L @ 25C
insoluble in :
 water
 glycerin
stability :
 non-discoloring in most media
(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
 acetophenone
2-acetyl furan
 almond oil
isoamyl acetate
isoamyl benzoate
isoamyl butyrate
 angelica root oil
para-anisyl alcohol
 armoise oil
 benzaldehyde
 benzyl acetate
 benzyl alcohol
 benzyl benzoate
 benzyl propionate
 bergamot oil
 blood orange oil
 bois de rose oil
isobornyl acetate
laevo-bornyl acetate
isobutyl cinnamate
 camphor oil
 cassia bark oil
 cistus oil
 citronella oils
 citrus carbaldehyde
 clary sage oil
 coriander seed oil
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
 cypress oil
 decanal
9-decen-1-al
 dihydromyrcenol
 dodecanal
 ethyl acetoacetate
 ethyl butyrate
 ethyl heptanoate
 ethyl salicylate
 eucalyptus oil
 fir needle oil
 floral pyranol
 frankincense oil
 geranium oil
 grapefruit pentanol
 green acetate
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 ho leaf oil
 hyacinth ether
2,4-ivy carbaldehyde
 labdanum resinoid
 lavender absolute
 leaf acetal
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
para-methyl anisole
 methyl cedryl ketone
 methyl dihydrojasmonate
 methyl heptenone
 methyl isoeugenol
 muguet carboxaldehyde
 musks
 myrrh oil
 narcissus absolute
 neryl acetate
 nonanal
 nopyl acetate
 oakmoss absolute
 orange oil
 patchouli ethanone
 pepper oil black
 petitgrain oil
 phenethyl acetate
 phenethyl alcohol
 phenyl acetaldehyde dimethyl acetal
3-phenyl propionaldehyde
 rose absolute
 rose butanoate
 rosemary oil
 sandalwood oil
 spruce oil
 styralyl acetate
alpha-terpineol
alpha-terpinyl acetate
 tetrahydrolinalool
 tetrahydromyrcenol
para-tolyl methyl ether
 verbena oil
 vetiver oil
 wintergreen oil
 woody acetate
 woody amylene
 ylang ylang oil
(odor and/or flavor) used in :
 bubblegum
 cassie acacia farnesiana
 castoreum
 cherry
 clove
 cranberry
 floral
 gardenia
 geranium
 hay new mown hay foin coupe
 huckleberry bilberry
 jasmin
 jonquil narcissus jonquilla
 labdanum
 leather
 meadowsweet spiraea
 mint
 oakmoss mousse de chene
 orange blossom fleur d'oranger
 peau d'espagne
 pineapple
 raspberry
 rose
 strawberry
 tuberose tubereuse
 vanilla
 vetiver
 wintergreen
 ylang ylang cananga
natural occurrence in :
data pagebetel leaf oil @ 2.33%
bilberry
data pagecananga oil china @ 2.70%
data pagecassie absolute @ 0.09%
data pagechampaca absolute @ 1.00%
data pagechampaca concrete @ 5.00%
clove
cranberry
currant black currant
gardenia
data pagejasmin absolute concrete egypt @ 0.14%
data pagejasmin sambac absolute egypt @ 0.30%
jonquil
kiwi fruit
narcissus
data pagestar fruit oil cuba @ 0.10%
tuberose
ylang ylang
data pageylang ylang oil @ 6.50%
data pageylang ylang oil CO2 extract @ 2.42%
data pageylang ylang oil I (cananga odorata hook. f. and thomas.) @ 3.35%
data pageylang ylang oil II (cananga odorata hook. f. and thomas.) @ 0.70%
data pageylang ylang oil III @ 0.20%



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