Pentaerythritol ester (CAS 70942-42-6) — formula C49H92O8S4, molecular weight 937.5; category organic chemicals.
| CAS Number | 70942-42-6 |
|---|---|
| Molecular Formula | C49H92O8S4 |
| Molecular Weight | 937.5 |
| LogP | 15.9 |
| Applications | General Manufacturing Information: Propanoic acid, 3-(octylthio)-, 1, 1'-[2, 2-bis[[3-(octylthio)-1-oxopropoxy]methyl]-1, 3-propanediyl] ester: ACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: Propanoic acid, 3-(octylthio)-, 1, 1'-[2, 2-bis[[3-(octylthio)-1-oxopropoxy]methyl]-1, 3-propanediyl] ester: ACTIVE.
Pentaerythritol ester is a carbon-based organic compound with CAS registry number 70942-42-6 and molecular formula C49H92O8S4 (molecular weight 937.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 70942-42-6
Its molecular formula C49H92O8S4 comprises 49 C, 92 H, 8 O, 4 S atoms.
Also known as: Pentaerythritol ester · 2,2-双[[3-(辛硫基)-1-氧代丙氧基]甲基]丙烷-1,3-二基双[3-(辛硫基)丙酸酯] · 2,2-bis[[3-(octylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(octylthio)propionate]
Category: organic chemicals
The CAS registry number of Pentaerythritol ester is 70942-42-6.
Molecular formula C49H92O8S4, molecular weight 937.5.
It is also registered under: Pentaerythritol ester, 2,2-双[[3-(辛硫基)-1-氧代丙氧基]甲基]丙烷-1,3-二基双[3-(辛硫基)丙酸酯], 2,2-bis[[3-(octylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(octylthio)propionate].
Recorded applications: General Manufacturing Information: Propanoic acid, 3-(octylthio)-, 1, 1'-[2, 2-bis[[3-(octylthio)-1-oxopropoxy]methyl]-1, 3-propanediyl] ester: ACTIVE.
Category: Organic Chemicals.
Independent reference data for Pentaerythritol ester (CAS 70942-42-6), compiled from public chemistry databases.
| CAS 号 | 70942-42-6 |
|---|---|
| PubChem CID | 166158 |
| 分子式 | C49H92O8S4 |
| IUPAC 名称 | [3-(3-octylsulfanylpropanoyloxy)-2,2-bis(3-octylsulfanylpropanoyloxymethyl)propyl] 3-octylsulfanylpropanoate |
| UNII（FDA） | NS00064474 |
| Molecular Weight | 937.5 |
|---|---|
| XLogP3 | 15.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 52 |
| Exact Mass | 936.56750458 |
| Monoisotopic Mass | 936.56750458 |
| Topological Polar Surface Area | 206 |
| Heavy Atom Count | 61 |
70942-42-6; EINECS 275-047-5; 3-Octylthiopropionic acid, pentaerythritol ester (4:1); DTXSID701015128; Propanoic acid, 3-(octylthio)-, 1,1'-(2,2-bis((3-(octylthio)-1-oxopropoxy)methyl)-1,3-propanediyl) ester; 2,2-Bis((3-(octylthio)-1-oxopropoxy)methyl)-1,3-propanediyl 3-(octylthio)propionate; Propanoic acid, 3-(octylthio)-, 2,2-bis((3-(octylthio)-1-oxopropoxy)methyl)-1,3-propanediyl ester; Propanoic acid, 3-(octylthio)-, 1,1'-[2,2-bis[[3-(octylthio)-1-oxopropoxy]methyl]-1,3-propanediyl] ester; RefChem:869377; DTXCID201473436; 2,2-Bis(((3-(octylthio)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(octylthio)propanoate); 2,2-Bis((3-(octylthio)-1-oxopropoxy)methyl)propane-1,3-diyl bis(3-(octylthio)propionate); SCHEMBL9356322; RKRWNUJRTRJCND-UHFFFAOYSA-N; NS00064474; 2,2-Bis({[3-(octylsulfanyl)propanoyl]oxy}methyl)propane-1,3-diyl bis[3-(octylsulfanyl)propanoate]
2,2-双[[3-(辛硫基)-1-氧代丙氧基]甲基]丙烷-1,3-二基双[3-(辛硫基)丙酸酯] · CAS 70942-42-6 · C49H92O8S4. UNII NS00064474.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.