Basic information
- CAS
106-05-8- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C- InChIKey
CJSPFDQEYQBDNN-UHFFFAOYSA-N- Molecular formula
- C24H48O2
- Average molar mass
- 368.6 g/mol
- Monoisotopic mass
- 368.36543077
Names & identifiers
- Preferred name
- Isooctyl palmitate
- IUPAC
- 6-methylheptyl hexadecanoate
- English name
- 6-methylheptyl palmitate
- Molecular formula
- C24H48O2
- Molecular weight
- 368.64
Names & synonyms
Isooctyl palmitate1341-38-4Hexadecanoic acid, isooctyl esterRefChem:792026DTXSID601035872215-675-96-Methylheptyl palmitate6-methylheptyl hexadecanoate106-05-8MFCD00152588USAF KE-1NSC 6383
Show more names
Palmitic acid isooctyl esterHexadecanoic acid 6-methylheptyl ester
EINECS 215-675-9O-16EINECS 203-356-7SCHEMBL79881DTXSID00909862CJSPFDQEYQBDNN-UHFFFAOYSA-NAKOS015901669DS-6369
Database identifiers
- CAS
106-05-8、1341-38-4- PubChem CID
- 14934
- DTXSID
DTXSID00909862- EC Number
- 203-356-7、215-675-9
- Nikkaji
- J40.598A
Properties
Computed structural properties
- XLogP
- 10.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 21
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Boiling point
- 407.2 · 407.2±13.0 °C(Predicted)
- Density
- 0.86 · 0.860±0.06 g/cm3(Predicted)
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
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Hexadecanoic acid, isooctyl ester
REACH registered substance: Isooctyl palmitate (EC: 215-675-9)
Other Safety InformationIMAP assessments - Hexadecanoic acid, isooctyl ester: Human health tier I assessment
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Chemistry & industry
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
武汉卡诺斯科技有限公司027-83238443 15327105076 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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