Basic information
- CAS
6969-49-9- Standard SMILES
CCCCCCCCOC(=O)c1ccccc1O- InChIKey
WCJLCOAEJIHPCW-UHFFFAOYSA-N- Molecular formula
- C15H22O3
- Average molar mass
- 250.33 g/mol
- Monoisotopic mass
- 250.15689456
Names & identifiers
- Preferred name
- Benzoic acid, 2-hydroxy-, octyl ester
- IUPAC
- octyl 2-hydroxybenzoate
- English name
- 2-Hydroxybenzoic acid octyl ester
- Molecular formula
- C15H22O3
- Molecular weight
- 250.33
Names & synonyms
Octyl salicylate6969-49-9Salicylic acid, octyl esterN-Octyl o-hydroxybenzoateOctyl o-hydroxybenzoateSalicylate de n-octyleBenzoic acid, 2-hydroxy-, octyl esterEINECS 230-190-2NSC 28914NSC 68365Benzoic acid, o-hydroxy-, octyl esterBRN 2724636
Show more names
Sun screenerOctylsalicylatCAPRYL SALICYLATEn-Octyl salicylatesalicylateden-octyleSalicylic acid octyloctylo-hydroxybenzoaten-octylo-hydroxybenzoate
AI3-07841DTXSID6042238RefChem:565584DTXCID4022238230-190-2OCTYL SALICYLATE [MI]OCTYL SALICYLATE [VANDF]octyl 2-hydroxybenzoate
Database identifiers
- CAS
6969-49-9- PubChem CID
- 62624
- DTXSID
DTXSID6042238- ChEMBL
CHEMBL117388- UNII
- HN9BJB6SXD
- EC Number
- 230-190-2
- Nikkaji
- J36.461D
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 228
Experimental & physicochemical properties
Collision Cross Section162.2 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID6042238]
Physicochemical properties
- Boiling point
- 333.47 °C · 333.47°C (rough estimate)
- Density
- 1.1109 · 1.1109 (rough estimate)
- refractive index
- 1.502 · 1.5020 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Insoluble in water, soluble in alcohol and oils.
- form
- Colourless oily liquid.
- pka
- 8.16 · 8.16±0.30(Predicted)
- LogP
- 6.089 · 6.089 (est)
- CAS DataBase Reference
- 6969 · 6969-49-9(CAS DataBase Reference)
- NIST Chemistry Reference
- Salicylic acid, n-octyl ester(6969-49-9)
- EPA Substance Registry System
- Octyl salicylate (6969-49-9)
Safety & regulation
Hazard information
Regulatory Information
Chemical: Benzoic acid, 2-hydroxy-, octyl ester
Benzoic acid, 2-hydroxy-, octyl ester: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
- hs_code
- 2918290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 40 consumer products that contain Octyl salicylate in the following categories is provided:
General Manufacturing InformationBenzoic acid, 2-hydroxy-, octyl ester: ACTIVE
Applications
UsesOctyl salicylate is a fragrance ingredient that blocks UVB rays.
Suppliers43 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
2 records
Compound notes
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