Basic information
- CAS
50623-57-9- Standard SMILES
CCCCCCCCC(=O)OCCCC- InChIKey
DOLFPCDDMUMIMR-UHFFFAOYSA-N- Molecular formula
- C13H26O2
- Average molar mass
- 214.34 g/mol
- Monoisotopic mass
- 214.19328007
Names & identifiers
- Preferred name
- Butyl nonanoate
- IUPAC
- butyl nonanoate
- English name
- n-Butyl nonanoate
- Molecular formula
- C13H26O2
- Molecular weight
- 0
Names & synonyms
BUTYL NONANOATEButyl nonan-1-oateNonanoic acid, butyl esterButyl pelargonateUNII-9YX9F28J2N9YX9F28J2NN-BUTYL NONANOATEEINECS 256-661-2AI3-33588n-Pelargonic acid, butyl esterDTXSID80198671RefChem:122281
Show more names
DTXCID40121162DOLFPCDDMUMIMR-UHFFFAOYSA-N50623-57-9nonanoic acid butyl esterPelargonic acid butyl esterSCHEMBL395831SCHEMBL4740627SCHEMBL4740630
Database identifiers
- CAS
50623-57-9- PubChem CID
- 39742
- DTXSID
DTXSID80198671- UNII
- 9YX9F28J2N
- EC Number
- 256-661-2
- Nikkaji
- J115.092H
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 143
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Flavoring AgentsEU Flavoring substances
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
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Nonanoic acid, butyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Nonanoic acid, butyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Nonanoic acid, butyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Suppliers8 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
BOC Sciences[email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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