Basic information
- CAS
5350-03-8- Standard SMILES
CCCCCCCCCCCC(=O)OCCCCC- InChIKey
PQWBDPUBNMEITD-UHFFFAOYSA-N- Molecular formula
- C17H34O2
- Average molar mass
- 270.5 g/mol
- Monoisotopic mass
- 270.25588032
Overview
Pentyl dodecanoate is a dodecanoate ester resulting from the formal condensation of the carboxy group of dodecanoic acid with the hydroxy group of pentan-1-ol. It has a role as a flavouring agent and an animal metabolite. It is functionally related to a pentan-1-ol.
Names & identifiers
- Preferred name
- Pentyl laurate
- IUPAC
- pentyl dodecanoate
- English name
- Lauric acid n-amyl ester
- Molecular formula
- C17H34O2
- Molecular weight
- 270.45
Names & synonyms
Amyl lauratepentyl dodecanoate5350-03-8Pentyl laurateLauric acid, pentyl estern-amyl laurateNSC-38910L8N15IQC6DTXSID40201711CHEBI:188346RefChem:112398DTXCID70124202
Show more names
pentyllaurateAmylLaurate>Lauric Acid Amyl EsterLauricacidamylester,97%Lauric Acid Amyl Ester Pentyl Laurate Lauric Acid Pentyl Ester
226-319-7Lauric acid n-amyl esterLauric Acid Amyl EsterLauric Acid Pentyl Esterdodecanoic acid pentyl esterDODECANOIC ACID, PENTYL ESTERMFCD00059218UNII-0L8N15IQC6
Database identifiers
- CAS
5350-03-8- PubChem CID
- 62571
- DTXSID
DTXSID40201711- ChEBI
CHEBI:188346- UNII
- 0L8N15IQC6
- EC Number
- 226-319-7
- Nikkaji
- J115.172J
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 190
Experimental & physicochemical properties
SpringerMaterials PropertiesSurface tension
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 245 · 245-248 °C
- Density
- 0.86 · 0.86
- refractive index
- 1.436 to · 1.4360 to 1.4390
- FLAVIS Number
- 9.681 · 09.681 | Pentyl dodecanoate
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Light yellow
- Odor
- 100 % · at 100.00 %. mild fatty oily waxy
- Odor Type
- oily
- LogP
- 7.409 · 7.409 (est)
- FDA UNII
- 0 L8N15IQC6 · 0L8N15IQC6
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Dodecanoic acid, pentyl ester: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- hs_code
- 2915.90.5050
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
UsesLauric Acid N-Amyl Ester, is a Lauric Acid derivative displaying possible antibacterial activity.
Suppliers32 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [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]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
吉良化学21-62165282 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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