hexyl salicylate
 
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IUPAC name :hexyl 2-hydroxybenzoate
InChI :InChI=1/C13H18O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9,14H,2-4,7,10H2,1H3
InChIKey :DUKPKQFHJQGTGU-UHFFFAOYAH
SMILES :CCCCCCOC(=O)C1=CC=CC=C1O
(EINECS) number :228-408-6
cas number :6259-76-3
coe number :10695
fl. number :09.581
molar refractivity :63.07 ± 0.3 cm3
parachor :526.0 ± 4.0 cm3
index of refraction :1.517 ± 0.02
surface tension :40.6 ± 3.0 dyne/cm
density :1.067 ± 0.06 g/cm3
polarizability :25.00 ± 0.5 10-24cm3
xlogp : 5.00
molecular weight : 222.2802200
formula :C13 H18 O3
 
 
export tariff code :2918.23.0000
fda reg :unspecified
 

Suppliers :
Sigma-Aldrich-SAFC :Hexyl salicylate
 >98%
 
 

organoleptics :
odor type :herbal
odor strength :low
odor description :
at 100.00 %.  
fresh herbal orchid green
substantivity :40  Hour(s)

properties :
appearence :colorless clear oily liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.03200 - 1.04000 @ 25.00 °C.
pounds per gallon - calc. : 8.587 to 8.654
specific gravity :1.03300 - 1.04100 @ 20.00 °C.
pounds per gallon - calc. : 8.606 to 8.672
refractive index :1.50200 - 1.50700 @ 20.00 °C.
boiling point : 290.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 4.91

safety :
most important hazard(s) : Xi N - Irritant, Dangerous for the environment.
  
Oral Toxicity(LD50) : Oral-Rat    >5.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
  
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
  
IFRA critical Effect :Sensitization
Fragrance usage is RESTRICTED to :
Please review all IFRA documents for complete information. (QRA)
IFRA categories : limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)
Category 1 :1.00 % (1)Category 2 :1.30 %
Category 3 :5.30 %Category 4 :16.00 %
Category 5 :8.40 %Category 6 :25.70 % (1)
Category 7 :2.70 %Category 8 :2.00 %
Category 9 :5.00 %Category 10 :2.50 %
Category 11 :See Note 
  
 

(1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org).

 

Note : Category 11 includes all non-skin contact or incidental skin contact products. Due to negligible skin contact, the concentration of a fragrance ingredient should not exceed the usual concentration of the fragrance compound in the finished product.

For example, hypothetically if the usual concentration of a fragrance compound in the final product, for example a candle, is at 5%, then any individual fragrance ingredient (in this case hexyl salicylate) must not exceed 5% in the candle.

recommendation for hexyl salicylate usage levels up to :
 not for flavor use.
  

safety links :
(EINECS) number :228-408-6
rtecs :DH2207000 for 6259-76-3
chemidplus :006259763
epa-srs :6259-76-3
  

other :
 

references :
fl. number :09.581
pubchem :165272
NIST Chemistry WebBook :1878798673
  
synonyms :
 hexyl 2-hydroxy-1-benzene carboxylate
 hexyl 2-hydroxybenzoate
 hexyl salicylate
 hexyl-2-hydroxybenzoate
N-hexyl-ortho-hydroxybenzoate
 salicylic acid hexyl ester
soluble in :
 alcohol
 water, 9 mg/L @ 20C
insoluble in :
 water
stability :
 alcoholic lotion
 antiperspirant
 deo stick
 detergent
 fabric softener
 hard surface cleaner
 shampoo
 soap
(odor and/or flavor) blends with :
isoamyl salicylate
 amyris wood oil
 bay leaf oil
isobornyl acetate
 boronia absolute
isobutyl phenyl acetate
 citronella oil
 clary sage oil
 cognac oil
 coumarin
 cypress oil
 decanol
 deertongue absolute
 dimethyl anthranilate
 dimethyl benzyl carbinyl butyrate
 ethyl benzoate
 ethyl cinnamate
 eugenia jambolana leaf oil
 eugenol
 floral pyranol
 flouve absolute
 geraniol
 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
 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
 woody acetate
(odor and/or flavor) used in :
 aldehydic
 almond
 alpine bouquet
 amber
 apple blossom
 apricot
 azalea
 balsam
 banana
 blue grass
 blue mist
 bouquet
 broom genet genista
 camelia
 carnation dianthus oeillet
 cedar
 cherry
 cherry blossom
 christmas blends
 chrysanthemum chrysantheme
 chypre
 citrus
 clove
 clover trefle le'trefle incarnat
 coconut tropical coconut
 currant
 cyclamen
 fern fougere
 floral
 fruit
 gooseberry
 green
 grenadine
 hay new mown hay foin coupe
 herbal
 honey miel
 hyacinth jacinthe
 labdanum
 leather
 lemon
 lilac lilas syringa
 lotus
 meadow
 mimosa wattle
 mint
 moss
 musk
 ocean sea breeze
 orange
 orchid
 oriental
 outdoors fresh outdoors
 peach
 pine
 plum
 poppy red poppy
 potpourri
 raspberry
 rose
 rose tea rose
 rounding off
 solvents
 spearmint
 spice
 strawberry
 tuberose tubereuse
 vanilla
 wallflower giroflee
 woody
 ylang ylang cananga
natural occurrence in :
data pageosmanthus absolute @ 0.007%



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