2-ethyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl dioctanoate (CAS 4826-87-3) — formula C30H56O6, molecular weight 512.8; category organic chemicals.
| CAS Number | 4826-87-3 |
|---|---|
| Molecular Formula | C30H56O6 |
| Molecular Weight | 512.8 |
| LogP | 9.9 |
| Applications | Use Classification: Cosmetics -> Emollient, Skin conditioning, General Manufacturing Information: Octanoic acid, 1, 1'-[2-ethyl-2-[[(1-oxooctyl)oxy]methyl]-1, 3-propanediyl] ester: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Cosmetics -> Emollient, Skin conditioning, General Manufacturing Information: Octanoic acid, 1, 1'-[2-ethyl-2-[[(1-oxooctyl)oxy]methyl]-1, 3-propanediyl] ester: ACTIVE.
2-ethyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl dioctanoate is a carbon-based organic compound with CAS registry number 4826-87-3 and molecular formula C30H56O6 (molecular weight 512.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4826-87-3
Its molecular formula C30H56O6 comprises 30 C, 56 H, 6 O atoms.
Also known as: 2-ethyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl dioctanoate · 2-乙基-2-[[(1-氧代辛基)氧基]甲基]-1,3-丙二基二辛酸酯
Category: organic chemicals
The CAS registry number of 2-ethyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl dioctanoate is 4826-87-3.
Molecular formula C30H56O6, molecular weight 512.8.
It is also registered under: 2-ethyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl dioctanoate, 2-乙基-2-[[(1-氧代辛基)氧基]甲基]-1,3-丙二基二辛酸酯.
Recorded applications: Use Classification: Cosmetics -> Emollient, Skin conditioning, General Manufacturing Information: Octanoic acid, 1, 1'-[2-ethyl-2-[[(1-oxooctyl)oxy]methyl]-1, 3-propanediyl] ester: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 2-ethyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl dioctanoate (CAS 4826-87-3), compiled from public chemistry databases.
| CAS Registry Number | 4826-87-3 |
|---|---|
| PubChem CID | 78541 |
| Molecular formula | C30H56O6 |
| IUPAC name | 2,2-bis(octanoyloxymethyl)butyl octanoate |
| UNII (FDA) | 12SZ34PNBO |
| Molecular Weight | 512.8 |
|---|---|
| XLogP3 | 9.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 28 |
| Exact Mass | 512.40768950 |
| Monoisotopic Mass | 512.40768950 |
| Topological Polar Surface Area | 78.9 |
| Heavy Atom Count | 36 |
Trimethylolpropane trioctanoate; Trimethylolpropane tricaprylate; 2-ethyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl dioctanoate; 12SZ34PNBO; DTXSID201014644; TRIMETHYLOPROPANE TRIOCTANOATE; 2-Ethyl-2-(((1-oxooctyl)oxy)methyl)-1,3-propanediyl dioctanoate; 1,1,1-TRIMETHYLOLPROPANE TRICAPRYLATE; Octanoic acid, 2-ethyl-2-(((1-oxooctyl)oxy)methyl)-1,3-propanediyl ester; Octanoic acid, 1,1'-(2-ethyl-2-(((1-oxooctyl)oxy)methyl)-1,3-propanediyl) ester; 1,3-PROPANEDIOL, 2-ETHYL-2-(HYDROXYMETHYL)-, TRIOCTANOATE; Octanoic acid, 2-ethyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl ester; Octanoic acid, 1,1'-[2-ethyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester; RefChem:899866; DTXCID401437185; Octanoic acid, 2-ethyl-2-(1-oxooctyl)oxymethyl-1,3-propanediyl ester
| Regulatory & Food Contact | CIR / INCI: Emollient; Skin conditioning |
|---|---|
| GHS notification summary | 100% (10 / 10) |
| GHS notification summary | 100% (10 / 10) |
|---|
This chemical does not meet GHS hazard criteria for 100% (10 of 10) of all reports.
Reported as not meeting GHS hazard criteria by 10 of 10 companies. For more detailed information, please visit ECHA C&L website.
2-ethyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl dioctanoate · CAS 4826-87-3 · C30H56O6. UNII 12SZ34PNBO.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.