propyl salicylate
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IUPAC name :propyl 2-hydroxybenzoate
InChI :InChI=1/C10H12O3/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h3-6,11H,2,7H2,1H3
InChIKey :LZFIOSVZIQOVFW-UHFFFAOYAA
SMILES :CCCOC(=O)C1=CC=CC=C1O
cas number :607-90-9
(EINECS) number :210-145-3
molar refractivity :49.17 ± 0.3 cm3
parachor :406.7 ± 4.0 cm3
index of refraction :1.531 ± 0.02
surface tension :43.0 ± 3.0 dyne/cm
density :1.134 ± 0.06 g/cm3
polarizability :19.49 ± 0.5 10-24cm3
XlogP : 3.30
molecular weight : 180.2004800
formula :C10 H12 O3
NMR Predictor :Predict
 
 
export tariff code :2918.23.0000
fda reg :unspecified

organoleptics :
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
vine clover fruity plum

properties :
appearence :white to pale yellow solid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.09900 @ 15.00 °C.
melting point : 96.00 to 97.00 °C. @ 760.00 mm Hg
boiling point : 239.00 to 240.00 °C. @ 760.00 mm Hg
vapor pressure :0.00055 mm/Hg @ 25.00 °C.
flash point : 213.00  °F.  TCC  ( 100.56 °C. )
logP (o/w) : 3.80

safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for propyl salicylate usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for propyl salicylate usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 propyl 2-hydroxybenzoate
(EINECS) number :210-145-3
chemidplus :000607909
EPA Substance Registry Services :607-90-9
dtp/nci :8221

references :
 propyl 2-hydroxybenzoate
NIST Chemistry WebBook :3181268623
pubchem :211254

other :
synonyms :
2-hydroxybenzoic acid propyl ester
 propyl 2-hydroxybenzoate
 propyl ortho-hydroxybenzoate
 salicylic acid propyl ester

soluble in :
 alcohol
 water, 119 mg/L @ 25C

insoluble in :
 water

(odor and/or flavor) blends with :
 allyl nonanoate
isoamyl formate
 amyl salicylate
para-anisyl acetate
 anisyl propanal / methyl anthranilate schiff's base
 butyl formate
 butyl salicylate
isobutyl salicylate
2-isobutyl thiazole
 clover nitrile
 cumin acetaldehyde
homocuminic aldehyde
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl butyrate
2,4-dimethyl cyclohexyl methyl acetate
 ethyl 4-phenyl butyrate
 galbanum resinoid
 geranium concrete
 heptyl phenyl acetate
3-hexen-1-al
(Z)-3-hexen-1-ol
alpha-hexyl cinnamaldehyde dimethyl acetal
 hexyl heptanoate
 hexyl phenyl acetate
 hyacinth absolute
 hyacinth butanal
 ivy carbaldehyde
2,4-ivy carbaldehyde
3,5-ivy carbaldehyde
3,6-ivy carbaldehyde
2,4-ivy carbaldehyde / methyl anthranilate schiff's base
 ivy dioxolane
 ivy leaf absolute
 leafy oxime
 methyl formate
5-methyl-5-hexen-2-one
 narcissus absolute
2-nonyn-1-al dimethyl acetal
 oakmoss concrete
 ocean propanal / methyl anthranilate schiff's base
 orangeflower absolute
 phenethyl acetal
 phenethyl cinnamate
 phenethyl isopropyl ether
 phenoxyacetaldehyde 50% in benzyl alcohol
 phenyl acetaldehyde
 phenyl acetaldehyde diisobutyl acetal
 phenyl acetaldehyde dimethyl acetal
3-phenyl propionaldehyde
(R)-2-phenyl propyl alcohol
4-phenyl-2-butanol
 plum crotonate
 propyl cinnamate
isopropyl phenyl acetate
2-isopropyl pyridine
isopropyl quinoline
 rose absolute
laevo-rose oxide
 tetrahydrofurfuryl cinnamate

(odor and/or flavor) used in :
 clover trefle le'trefle incarnat
 magnolia
 orchid
 plum
 vine
 wallflower giroflee

natural occurrence in :
not found in nature



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