Basic information
- CAS
30673-36-0- Standard SMILES
CCCCCCCCCC(=O)OCCCC- InChIKey
ZRNCNTSXSYXHOW-UHFFFAOYSA-N- Molecular formula
- C14H28O2
- Average molar mass
- 228.37 g/mol
- Monoisotopic mass
- 228.20893013
Overview
butyl decanoate has been reported in Mandragora autumnalis, Mangifera indica, and Mandragora officinarum with data available.
Names & identifiers
- Preferred name
- Butyl decanoate
- IUPAC
- butyl decanoate
- English name
- Butyl caprate
- Molecular formula
- C14H28O2
- Molecular weight
- 228.37
Names & synonyms
BUTYL DECANOATE30673-36-0Butyl caprateDecanoic acid, butyl ester64W3201R25DTXSID4067565RefChem:122243DTXCID3038228250-280-5Decanoic Acid Butyl Estern-Capric acid n-butyl esterMFCD00053823
Show more names
Butyl Decanoate >Butyl decanoate >=98.0%Capric acid butyl esterdecanoicacid,butylesterLactic Acid Impurity 47
n-butyl decanoateUNII-64W3201R25EINECS 250-280-5n-Butyl n-decanoateBUTYLDECANOATEAI3-33573Decanoic Acid-N-Butyl EsterSCHEMBL332903
Database identifiers
- CAS
30673-36-0- PubChem CID
- 35408
- DTXSID
DTXSID4067565- UNII
- 64W3201R25
- EC Number
- 250-280-5
- Nikkaji
- J115.100B
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 123 °C · 123 °C / 4mmHg
- Density
- 0.86 g/mL · 0.86 g/mL at 20 °C(lit.)
- vapor pressure
- 0.17 Pa · 0.17Pa at 20℃
- refractive index
- 20 · n20/D 1.430
- FLAVIS Number
- 9.327 · 09.327 | Butyl decanoate
- Flash point
- 136 °C · 136°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- Odor
- whiskey
- BRN
- 1769651 · 1769651
- InChI
- 1S/C14H28O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h3-13H2,1-2H3
- InChIKey
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% (7 of 7) of all reports.
Not Classified
Aggregated GHS information provided per 7 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Decanoic acid, butyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: Butyl decanoate (EC: 250-280-5)
Decanoic acid, butyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Decanoic acid, butyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2915.90.5010
- Storage Class
- 12 - Non Combustible Liquids
- REACH Registrations
- Inactive
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDecanoic acid, butyl ester: INACTIVE
Applications
UsesButyl decanoate poses no health hazard and is biodegradable. Hence it is used to substitute hazardous compounds used in tissue processing and dewaxing, along with other compounds without impairing the morphology, staining characteristics, or diagnostic value of the tissue sections. It was used as an internal standard in the calculation of acid concentrations in the whole egg samples.
General DescriptionButyl decanoate is a colorless liquid. The IR spectra of butyl decanoate was measured in various solvents.
Suppliers70 total
国药集团化学试剂有限公司86-21-63210123 · [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]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
爱斯特（成都）生物制药股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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