phenyl salicylate
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IUPAC name :phenyl 2-hydroxybenzoate
InChI :InChI=1/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H
InChIKey :ZQBAKBUEJOMQEX-UHFFFAOYAI
SMILES :C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
cas number :118-55-8
(EINECS) number :204-259-2
beilstein number :0393969
fema number :3960
coe number :11814
jecfa number :736
fl. number :09.689
molar refractivity :59.77 ± 0.3 cm3
parachor :459.6 ± 4.0 cm3
index of refraction :1.615 ± 0.02
surface tension :51.8 ± 3.0 dyne/cm
density :1.250 ± 0.06 g/cm3
polarizability :23.69 ± 0.5 10-24cm3
XlogP : 4.10
molecular weight : 214.2167000
formula :C13 H10 O3
BioActivity Analysis :91558
NMR Predictor :Predict
 
 
export tariff code :2918.23.0000
fda reg :177.1010

Suppliers :
Berje :Phenyl Salicylate
Fleurchem :phenyl salicylate
Penta :phenyl salicylate
Sigma-Aldrich-SAFC :Phenyl salicylate
≥99%

organoleptics :
odor type :balsamic
odor strength :medium
odor description :
at 100.00 %.  
mild sweet fruity balsam

properties :
appearence :colorless crystalline solid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 43.00 to 46.00 °C. @ 760.00 mm Hg
boiling point : 172.00 to 173.00 °C. @ 12.00 mm Hg
boiling point : 304.00 to 306.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 3.82

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) :
  Oral-Rat    3000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 14, Pg. 837, 1976.

Oral-Rabbit    3000.00  mg/kg
Revue Medicale de la Suisse Romande. Vol. 15, Pg. 561, 1895.

Intraperitoneal-Mouse    >500.00  mg/kg

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :7.30 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :8.00 (μg/capita/day)
 
recommendation for phenyl salicylate usage levels up to :
 not for fragrance use.

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
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 phenyl 2-hydroxybenzoate
(EINECS) number :204-259-2
RTECS :VO6125000 for 118-55-8
chemidplus :000118558
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :118-55-8
dtp/nci :33406

references :
 phenyl 2-hydroxybenzoate
fl. number :09.689
jecfa number :736
NIST Chemistry WebBook :3736686450
pubchem :151507

Cosmetics :
Cosmetic uses : antimicrobial agents
denaturants
perfuming agents

other :
CosIng :cosmetic data
synonyms :
2-hydroxybenzoic acid phenyl ester
 phenol salicylate
2-phenoxycarbonyl phenol
 phenyl 2-hydroxybenzoate
 phenyl-alpha-hydroxybenzoate
 salicylic acid phenyl ester
 salol
 salphenyl

soluble in :
 alcohol
 water, 150 mg/L @ 25C

insoluble in :
 water

(odor and/or flavor) blends with :
alpha-amyl cinnamyl acetate
 benzyl acetone
isobutyl cinnamate
 cinnamyl anthranilate
 cinnamyl butyrate
(E)-cinnamyl butyrate
 cinnamyl formate
 cinnamyl propionate
 ethyl cinnamate
 hexyl cinnamate
 octyl benzoate
3-phenyl propyl isobutyrate
 prenyl benzoate
 propyl 2-furan acrylate
 santalyl butyrate
 terpinyl butyrate

(odor and/or flavor) used in :
 antimicrobial agents
 balsam
 denaturants
 fruit
 herbal
 intensifier
 wintergreen

natural occurrence in :
not found in nature



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