isoamyl salicylate
Notes :
Isobutyl phenyl acetate really rounds out the odor.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :3-methylbutyl 2-hydroxybenzoate
InChI :InChI=1/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3
InChIKey :PMGCQNGBLMMXEW-UHFFFAOYAO
SMILES :CC(C)CCOC(=O)C1=CC=CC=C1O
(EINECS) number :201-730-4
cas number :87-20-7
beilstein number :2580465
fema number :2084
coe number :435
jecfa number :903
fl. number :09.751
molar refractivity :58.39 ± 0.3 cm3
parachor :483.6 ± 4.0 cm3
index of refraction :1.519 ± 0.02
surface tension :40.1 ± 3.0 dyne/cm
density :1.083 ± 0.06 g/cm3
polarizability :23.15 ± 0.5 10-24cm3
xlogp : 4.40
molecular weight : 208.2536400
formula :C12 H16 O3
 
 
fda reg :172.515 h. number :2918.23.0000
organoleptics : 
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
floral herbal woody orchid metallic
taste description² :at 20.00 ppm in water.  
herbal green berry
substantivity :124 hour(s) at 100.00 %
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.04900 - 1.05500 @ 25.00 °C.
pounds per gallon - calc. : 8.729 to 8.779
specific gravity :1.05000 - 1.05600 @ 20.00 °C.
pounds per gallon - calc. : 8.747 to 8.797
refractive index :1.50700 - 1.50900 @ 20.00 °C.
boiling point : 277.00 - 278.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 4.37
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) : Xi N - Irritant, Dangerous for the environment.
  
Oral Toxicity(LD50) : Oral-Rat    3300.00  mg/kg    (2),25,1994
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
  
recommendation for isoamyl salicylate usage levels up to :
  10.0000 % in the fragrance concentrate.
  
recommendation for isoamyl salicylate usage levels up to :
  3.0000 ppm in the flavor.
  
safety links : 
msds :msds
  
(EINECS) number :201-730-4
rtecs :VO4375000 for 87-20-7
chemidplus :000087207
epa-srs :87-20-7
dtp/nci :7952
  
other : 
  C of A
references : 
pubchem :149878
NIST Chemistry WebBook :70942751
  
synonyms :
isoamyl ortho-hydroxybenzoate
isoamyl salicylate
2-hydroxybenzoic acid 3-methyl butyl ester
3-methyl butyl 2-hydroxybenzoate
3-methyl butyl ortho-hydroxybenzoate
3-methyl butyl salicylate
isopentyl ortho-hydroxybenzoate
isopentyl salicylate
isopentyl-2-hydroxyphenyl methanoate
 salicylic acid isopentyl ester
soluble in :
 alcohol
 fixed oils
 kerosene
 paraffin oil
 water, 145 mg/L @ 25C
insoluble in :
 water
 glycerin
 propylene glycol
stability :
 antiperspirant
 deo stick
 detergent perborate
 fabric softener
 hair spray
 hard surface cleaner
 liquid detergent
 non-discoloring in most media
 powder
 shampoo
(odor and/or flavor) blends with :
 abies alba mill oil
 abies sibirica oil
 acetoin
 amyris wood oil
 animal carbolactone
 bay leaf oil
isobornyl acetate
 boronia absolute
isobutyl phenyl acetate
isobutyl salicylate
 citronella oil
 clary sage oil
 clover nitrile
 cognac oil
 costus valerolactone
 coumarin
 cypress oil
 decanol
 deertongue absolute
 dihydrojasmone
 dimethyl anthranilate
 dimethyl benzyl carbinyl butyrate
 ethyl benzoate
 ethyl cinnamate
 eugenia jambolana leaf oil
 eugenol
isoeugenyl acetate
 floral pyranol
 flouve absolute
 geraniol
 heliotropyl acetone
 hexyl 2-methyl butyrate
 ho leaf oil
 hyssop oil
 ivy absolute
 labdanum resinoid
 lavandin oil
 lavender absolute
 lemongrass oil
laevo-linalool
 linalool oxide
 litsea cubeba oil
 melilot absolute
 mimosa absolute
 nerolidol
 nonanol
 nutmeg oil
 oakmoss absolute
 ocean propanal
 olibanum oil
 origanum oil
 orris absolute
 patchouli ethanone
 pimento berry oil
 raspberry ketone
 rose butanoate
 santall
 spike lavender oil
 spruce oil
alpha-terpineol
 tonka bean absolute
 treemoss absolute
gamma-undecalactone
10-undecen-1-al
 vetiver oil
 watermelon ketone
 woody acetate
(odor and/or flavor) used in :
 a suma
 aldehydic
 almond
 alpine bouquet
 amber
 angel
 apple blossom
 apricot
 balsam
 banana
 berry
 blue grass
 blue mist
 bluebell
 bouquet
 broom genet genista
 brut
 camelia
 canoe
 carnation dianthus oeillet
 cedar
 cherry
 cherry blossom
 christmas blends
 chrysanthemum chrysantheme
 chypre
 citrus
 clean
 clover trefle le'trefle incarnat
 coconut tropical coconut
 cologne
 currant
 cyclamen
 date
 fern fougere
 fleurs de rocailles
 floral
 fresh
 fruit
 gooseberry
 grenadine
 hay new mown hay foin coupe
 herbal
 honey miel
 hyacinth jacinthe
 je reviens
 leather
 lemon
 lilac lilas syringa
 lotus
 lux beauty shower soap
 maja
 meadow
 mimosa wattle
 mint
 moss
 musk
 ocean sea breeze
 orange
 orchid
 oriental
 outdoors fresh outdoors
 peach
 pine
 plum
 pompeia
 poppy red poppy
 potpourri
 powder
 raspberry
 rootbeer
 rose
 rose tea rose
 spearmint
 spice
 strawberry
 tide
 tuberose tubereuse
 vanilla
 wallflower giroflee
 woody
 ylang ylang cananga
 zibeline
natural occurrence in :
grape
rum
tobacco burley tobacco



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