p-Cresyl salicylate
Completing data — refresh the page later to see the latest
Basic information
- CAS
607-88-5- Standard SMILES
Cc1ccc(OC(=O)c2ccccc2O)cc1- InChIKey
AMYKXJAXRJCLCV-UHFFFAOYSA-N- Molecular formula
- C14H12O3
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.07864424
Overview
structure in first source
Names & identifiers
- Preferred name
- p-Cresyl salicylate
- IUPAC
- (4-methylphenyl) 2-hydroxybenzoate
- English name
- SALICYLIC ACID P-TOLYL ESTER
- Molecular formula
- C14H12O3
- Molecular weight
- 228.24
Names & synonyms
p-Tolyl salicylate607-88-5p-Cresyl salicylate4-Methylphenyl salicylate4-Methylphenyl 2-hydroxybenzoateSalicylic acid, p-tolyl esterBenzoic acid, 2-hydroxy-, 4-methylphenyl ester8S7I019XJFNSC-60999RefChem:525674210-144-8p-tolyl 2-hydroxybenzoate
Show more names
PARA-CRESYLSALICYLATEsalicylicacidtolylester4-methylphenyl2-hydroxybenzoateSALICYLIC ACID P-TOLYL ESTER 95+%SALICYLIC ACID 4-METHYLPHENYL ESTER
Salicylic Acid p-Tolyl Ester(4-methylphenyl) 2-hydroxybenzoateMFCD00059616DTXSID3047508EINECS 210-144-8NSC 60999BRN 2114441UNII-8S7I019XJF
Database identifiers
- CAS
607-88-5- PubChem CID
- 69091
- DTXSID
DTXSID3047508- ChEMBL
CHEMBL2260698- UNII
- 8S7I019XJF
- EC Number
- 210-144-8
- Nikkaji
- J62.749F
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
Experimental & physicochemical properties
FragrancesFragrance Ingredient (p-Cresyl salicylate) -> IFRA transparency List
Physicochemical properties
- Melting point
- 38 °C · 38 °C
- Boiling point
- 310.05 °C · 310.05°C (rough estimate)
- Density
- 1.2196 · 1.2196 (rough estimate)
- refractive index
- 1.5557 · 1.5557 (estimate)
- solubility
- Insoluble in water, soluble in alcohol and oils
- form
- powder to crystal
- color
- White to Almost white
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.434 · 3.434 (est)
- CAS DataBase Reference
- 607 · 607-88-5
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 S7I019XJF · 8S7I019XJF
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 261 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzoic acid, 2-hydroxy-, 4-methylphenyl ester
Benzoic acid, 2-hydroxy-, 4-methylphenyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzoic acid, 2-hydroxy-, 4-methylphenyl ester: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- rtecs
- VO6800000
- hs_code
- 2918.23.5000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationBenzoic acid, 2-hydroxy-, 4-methylphenyl ester: ACTIVE
Additional notes
DefinitionVery faint floral-green, tenacious odor, reminiscent of Narcissus, Hyacinth, etc. but more delicate than the conventional para-Cresyl esters. The mildness of this odor is often ruined by the presence of trace amounts of free para-Cresol or Phenol. Useful in Narcissus, Jasmin, etc., and blends excellently with Oakmoss products in Chypres, Men’s Fougeres, etc.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…