Basic information
- CAS
14531-34-1- Standard SMILES
CCCCCCCCCCCCCCCC(=O)CC(=O)OC- InChIKey
UKKQXJNTICLENY-UHFFFAOYSA-N- Molecular formula
- C19H36O3
- Average molar mass
- 312.5 g/mol
- Monoisotopic mass
- 312.26644501
Names & identifiers
- Preferred name
- Methyl 3-oxooctadecanoate
- IUPAC
- methyl 3-oxooctadecanoate
- English name
- methyl 3-oxooctadecanoate
- Molecular formula
- C19H36O3
- Molecular weight
- 312.49
Names & synonyms
Methyl 3-oxooctadecanoate14531-34-1Octadecanoic acid, 3-oxo-, methyl esterEINECS 238-555-8DTXSID80162978RefChem:157527DTXCID9085469238-555-8UKKQXJNTICLENY-UHFFFAOYSA-NMethyl3-oxooctadecanoateSCHEMBL1123664MFCD00673475
Show more names
Metyl palmitoyl acetate3-Ketostearic acid methyl ester3-Oxooctadecanoic acid methyl ester
SY348046NS00024727G68348
Database identifiers
- CAS
14531-34-1- PubChem CID
- 84501
- DTXSID
DTXSID80162978- EC Number
- 238-555-8
- Nikkaji
- J110.681C
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- LogP
- 7.62 · 7.620 (est)
- REACH Registrations
- Active
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% (5 of 5) of all reports.
Not Classified
Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: Methyl 3-oxooctadecanoate (EC: 238-555-8)
Hazard Classes and CategoriesNot Classified
Safety data
- REACH Registrations
- Active
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers15 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [email protected]
成都叮当时代医药科技有限公司028-86040038 · [email protected]
湖南秉航新材料有限公司85521272 18932438858 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
陕西科睿安材料科技有限公司17789126862 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
4 records
Compound notes
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