(Z)-3-hexen-1-yl salicylate
 
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IUPAC name :[(Z)-hex-3-enyl] 2-hydroxybenzoate
InChI :InChI=1/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9,14H,2,7,10H2,1H3/b4-3+
InChIKey :IEPWIPZLLIOZLU-ARJAWSKDBG
SMILES :CC\C=C/CCOC(=O)C1=CC=CC=C1O
(EINECS) number :265-745-8
cas number :65405-77-8
coe number :10685
fl. number :09.570
molar refractivity :63.12 ± 0.3 cm3
parachor :513.2 ± 4.0 cm3
index of refraction :1.537 ± 0.02
surface tension :41.7 ± 3.0 dyne/cm
density :1.090 ± 0.06 g/cm3
polarizability :25.02 ± 0.5 10-24cm3
xlogp : 4.50
molecular weight : 220.2643400
formula :C13 H16 O3
 
 
fda reg :unspecified h. number :2918.23.0000
organoleptics : 
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
floral green metallic herbal balsam
substantivity :216  Hour(s)
properties : 
appearence :colorless clear oily liquid
assay : 98.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :1.05600 - 1.06400 @ 25.00 °C.
pounds per gallon - calc. : 8.787 to 8.854
specific gravity :1.05700 - 1.06500 @ 20.00 °C.
pounds per gallon - calc. : 8.806 to 8.872
refractive index :1.51800 - 1.52200 @ 20.00 °C.
boiling point : 145.00 °C. @ 5.00 mm Hg
boiling point : 271.00 °C. @ 760.00 mm Hg
logp : 4.36
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 - Irritant
  
Oral Toxicity(LD50) : Oral-Rat    5.00  gm/kg  FCTXAV  17,373,1979
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg  FCTXAV  17,373,1979
  
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
  
recommendation for (Z)-3-hexen-1-yl salicylate usage levels up to :
  7.0000 % in the fragrance concentrate.
  
recommendation for (Z)-3-hexen-1-yl salicylate usage levels up to :
 not for flavor use.
  
safety links : 
msds :msds
  
(EINECS) number :265-745-8
chemidplus :65405-77-8
epa-srs :65405-77-8
  
other : 
  C of A
references : 
pubchem :10531843
NIST Chemistry WebBook :3306718206
  
synonyms :
(Z)-3-hexen-1-yl 2-hydroxybenzoate
(Z)-3-hexen-1-yl salicylate
cis-3-hexen-1-yl salicylate
(Z)-3-hexenyl salicylate
cis-3-hexenyl salicylate
soluble in :
 alcohol
insoluble in :
 water
stability :
 acid cleaner
 alcoholic lotion
 antiperspirant
 deo stick
 detergent
 fabric softener
 shampoo
 soap
(odor and/or flavor) blends with :
 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
gamma-undecalactone
10-undecen-1-al
 watermelon ketone
(odor and/or flavor) used in :
 agrumen
 algae
 animal
 apple crabapple
 artichoke
 ash mountain ash
 ash mountain ash blossom
 asparagus
 avocado
 balsam
 bark
 bayberry
 botanical
 boxwood
 boxwood blossom
 boxwoodberry
 carnation dianthus oeillet
 carrot seed
 cedar forest
 celery
 charlie
 cherry black cherry
 christmas blends
 chrysanthemum chrysantheme
 chypre
 clean
 clover trefle le'trefle incarnat
 colonia
 coronilla
 crabapple blossom
 cucumber
 cyclamen
 daffodil narcissus
 dillenia
 earth humus
 elder blossom
 elderberry
 fantasy blends
 fern fougere
 fig
 fir balsam
 fixer
 floral
 flouve
 foliage
 forest
 freesia
 fresh
 fungus
 galanga
 ginger white ginger
 gooseberry
 grass sweet grass
 green
 hay new mown hay foin coupe
 heather
 herbal
 hollyberry
 hyacinth jacinthe
 hydrangea
 iris blossom
 kewda
 kiwi
 kiwi blossom
 leaf green leaf
 leather
 lily
 lotus
 lychee soapberry
 magnolia
 mango blossom
 mate
 meadow
 melon
 moss
 muguet lily of the valley
 musk
 narcissus narcisse
 new car
 nut
 ocean sea
 orchid
 pansy
 peach blossom
 pear prickly pear
 peony
 phlox
 pine
 pomegranate
 poppy
 privet
 privet blossom
 rain
 redwood
 reseda mignonette
 rhubarb
 rose tea rose
 rose white rose
 rose wild rose
 starfruit
 stephanotis
 stock evening scented stock
 sweet pea pois de senteur
 tea
 tobacco tabac tabaco
 tuberose tubereuse
 tulip
 verbena verveine
 violet
 woody
 yew
natural occurrence in :
data pagewitch hazel leaf oil @ 0.01%



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