Basic information
- CAS
5451-52-5- Standard SMILES
CCCCCCCCCCOC=O- InChIKey
BCLJZFLDSCTULJ-UHFFFAOYSA-N- Molecular formula
- C11H22O2
- Average molar mass
- 186.29 g/mol
- Monoisotopic mass
- 186.16197994
Overview
Decyl formate is a carboxylic ester.
Names & identifiers
- Preferred name
- Decyl formate
- IUPAC
- decyl formate
- English name
- decyl formate
- Molecular formula
- C11H22O2
- Molecular weight
- 186.29
Names & synonyms
Decyl formateFormic acid, decyl estern-Decyl methanoate1-decyl formateI3X2P7V6YFEINECS 226-682-1NSC 21821NSC-21821UNII-I3X2P7V6YFAI3-30443DTXSID7063897WE(10:0/1:0)
Show more names
decyl methanoateecylformate
RefChem:131364DTXCID4041731226-682-1BCLJZFLDSCTULJ-UHFFFAOYSA-N5451-52-5FORMIC ACID DECYL ESTER2qnzdecyl ormate
Database identifiers
- CAS
5451-52-5- PubChem CID
- 79541
- DTXSID
DTXSID7063897- ChEBI
CHEBI:179392- UNII
- I3X2P7V6YF
- EC Number
- 226-682-1
- Nikkaji
- J210.497K
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 102
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -29.1 °C · -29.1°C (estimate)
- Boiling point
- 220.8 °C · 220.8°C (estimate)
- Density
- 0.8726 · 0.8726 (estimate)
- refractive index
- 1.4271 · 1.4271
- solubility
- Very slightly soluble in water, soluble in alcohol and oils.
- color
- Colorless iiquid
- Odor
- Light, fruity, almost sharp odor with floral, Honey suckle-Orangeblossom character.
- Odor Type
- floral
- Henry's Law Constant
- 1.5 · 1.5×10-3 mol/(m3Pa) at 25℃, Yaws (2003)
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
Chemical: Formic acid, decyl ester
Formic acid, decyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationFormic acid, decyl ester: ACTIVE
Applications
UsesInteresting for Orangeblossom, NeroIi, Violet. Rose and, in general as a modifier in heavy floral or Oriental fragrance types. Decyl formate blends Jery well with Opopatmx, Sandalwood, Rose materials, Ionones and Citrus oils. For Orris bases it lends the fresh-oily notes that help change Ionones into more “orrisy“notes. Occasionally used in flavor compositions for imitation Cherry, Plum, Raspberry, Orange. etc.
Suppliers8 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
广州安纳医药科技有限公司020-86211473 13925088720 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…