ortho-cresyl salicylate 617-01-6

ortho-cresyl salicylate

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IUPAC name :

(2-methylphenyl) 2-hydroxybenzoate

InChI :

InChI=1/C14H12O3/c1-10-6-2-5-9-13(10)17-14(16)11-7-3-4-8-12(11)15/h2-9,15H,1H3

InChIKey :

KITKATPLNVHGFC-UHFFFAOYAZ

SMILES :

CC1=CC=CC=C1OC(=O)C2=CC=CC=C2O

cas number :	617-01-6
(EINECS) number :	210-500-2
fema number :	3734
jecfa number :	907
fl. number :	09.807
molar refractivity :	64.60 ± 0.3 cm3
parachor :	497.3 ± 4.0 cm3
index of refraction :	1.605 ± 0.02
surface tension :	49.4 ± 3.0 dyne/cm
density :	1.216 ± 0.06 g/cm3
polarizability :	25.61 ± 0.5 10-24cm3
XlogP :	4.30
molecular weight :	228.2432800
formula :	C14 H12 O3
NMR Predictor :	Predict

export tariff code :

2918.23.0000

fda reg :

unspecified

organoleptics :

odor type :

herbal

odor strength :

medium ,
recommend smelling in a 1.00 % solution or less

odor description :
at 1.00 % in dipropylene glycol.

herbal eucalyptus

properties :

appearence :

colorless semi-solid to solid

assay :

99.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.16400 to 1.17400 @ 25.00 °C.

pounds per gallon - calc. :

9.686 to 9.769

refractive index :

1.57600 to 1.58400 @ 20.00 °C.

boiling point :

180.00 °C. @ 2.00 mm Hg

boiling point :

378.00 to 379.00 °C. @ 760.00 mm Hg

acid value :

1.00 max. KOH/g

flash point :

324.00 °F. TCC ( 162.22 °C. )

logP (o/w) :

4.01

safety :

Oral Toxicity(LD50) :

Oral-Rat [sex: M,F] 1.81 ml/kg
(Sterner & Chibanguza, 1983)

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

Maximised Survey-derived Daily Intakes (MSDI-EU) :

ND (μg/capita/day)

Maximised Survey-derived Daily Intakes (MSDI-USA) :

30.00 (μg/capita/day)

recommendation for ortho-cresyl salicylate usage levels up to :

0.1000 % in the fragrance concentrate.

safety references :

European Food Safety Athority(efsa) :

Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

EPI System :

view

Canada Domestic Sub. List :

Yes

(2-methylphenyl) 2-hydroxybenzoate

(EINECS) number :

210-500-2

chemidplus :

000617016

EPA Substance Registry Services :

617-01-6

dtp/nci :

65073

references :

(2-methylphenyl) 2-hydroxybenzoate

fl. number :

09.807

jecfa number :

907

pubchem :

197416

other :

synonyms :
2-	hydroxybenzoic acid 2-methyl phenyl ester
2-	methyl phenyl 2-hydroxybenzoate
(2-	methyl phenyl) 2-hydroxybenzoate
(2-	methylphenyl) 2-hydroxybenzoate
	salicylic acid ortho-tolyl ester
ortho-	tolyl salicylate
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) used in :
	balsam
	herbal
natural occurrence in :
	not found in nature

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