Basic information
- CAS
29468-39-1- Standard SMILES
CCCOC(=O)c1ccccc1O- InChIKey
LZFIOSVZIQOVFW-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Overview
propyl salicylate has been reported in Solanum lycopersicum with data available.
Names & identifiers
- Preferred name
- Propyl salicylate
- IUPAC
- propyl 2-hydroxybenzoate
- English name
- Salicylic acid n-propyl ester
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
Propyl salicylatePropyl 2-Hydroxybenzoate607-90-9Propyl o-hydroxybenzoateSalicylic acid, propyl esterBenzoic acid, 2-hydroxy-, propyl esterDTXSID30467908CP40IDZ6DNSC 8221NSC-8221EINECS 210-145-3AI3-23185
Show more names
acidpropyl esterPropylSalicylate>Propyl salicylate 98%N-PROPYL-O-HYDROXYBENZOATESalicylic Acid Impurity 27
DTXCID1026790PROPYL SALICYLATE [WHO-DD]RefChem:869757Salicylic acid, propyl ester (8CI)210-145-3Salicylic acid n-propyl esterMFCD00045763n-Propyl salicylate
Database identifiers
- CAS
29468-39-1、607-90-9- PubChem CID
- 69092
- DTXSID
DTXSID3046790- ChEMBL
CHEMBL1986011- UNII
- 8CP40IDZ6D
- EC Number
- 210-145-3
- Nikkaji
- J47.837G
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
LogP3.8
Physicochemical properties
- Melting point
- 97 °C · 97°C
- Boiling point
- 246 °C · 246 °C
- Density
- 1.1 · 1.10
- refractive index
- 1.514 to · 1.5140 to 1.5170
- storage temp.
- RT, stored under nitrogen
- pka
- 8.16 · 8.16±0.30(Predicted)
- form
- clear liquid
- color
- Colorless to Almost colorless
- Odor
- 100 % · at 100.00 %. vine clover fruity plum
- Odor Type
- floral
- LogP
- 3.8 · 3.800
- CAS DataBase Reference
- 607 · 607-90-9(CAS DataBase Reference)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationBenzoic acid, 2-hydroxy-, propyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2918.23.5000
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-hydroxy-, propyl ester: INACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers53 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co
Related reactions
3 records
Compound notes
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