isobutyl stearate (CAS 646-13-9) — formula C22H44O2, molecular weight 340.6; category organic chemicals.
| CAS Number | 646-13-9 |
|---|---|
| Molecular Formula | C22H44O2 |
| Molecular Weight | 340.6 |
| Melting Point | 28.9 °C |
| Boiling Point | 223 °C @ 15 mm Hg |
| LogP | 9.9 |
| Category | Organic Chemicals |
isobutyl stearate is a carbon-based organic compound with CAS registry number 646-13-9 and molecular formula C22H44O2 (molecular weight 340.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 646-13-9
Its molecular formula C22H44O2 comprises 22 C, 44 H, 2 O atoms.
Also known as: isobutyl stearate · 硬脂酸异丁酯
Category: organic chemicals
The CAS registry number of isobutyl stearate is 646-13-9.
Molecular formula C22H44O2, molecular weight 340.6.
It is also registered under: isobutyl stearate, 硬脂酸异丁酯.
Category: Organic Chemicals.
Independent reference data for isobutyl stearate (CAS 646-13-9), compiled from public chemistry databases.
| CAS Registry Number | 646-13-9 |
|---|---|
| PubChem CID | 12588 |
| Molecular formula | C22H44O2 |
| IUPAC name | 2-methylpropyl octadecanoate |
| UNII (FDA) | V8DPR6HNX3 |
| Molecular Weight | 340.6 |
|---|---|
| XLogP3 | 9.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 19 |
| Exact Mass | 340.334130642 |
| Monoisotopic Mass | 340.334130642 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 24 |
| Boiling Point | 223 °C @ 15 mm Hg |
|---|---|
| Melting Point | 28.9 °C |
| Density | 0.8498 @ 20 °C |
| Vapor Pressure | 0.0000279 [mmHg] |
ISOBUTYL STEARATE; 2-Methylpropyl octadecanoate; Octadecanoic acid, 2-methylpropyl ester; Stearic acid, isobutyl ester; isobutyl octadecanoate; HSDB 2177; UNII-V8DPR6HNX3; V8DPR6HNX3; Stearic acid isobutyl ester; Uniflex IBYS; Kessco IBS; EINECS 211-466-1; BRN 1792857; Kemester 5415; Emerest 2324; Stearic acid, 2-methylpropyl ester
| Regulatory & Food Contact | EU Flavoring substances FDA Cumulative Estimated Daily Intake (CEDI): FCS FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS Flavoring Agents CIR / INCI: Cosmetic ingredients (Isobutyl Stearate) -> CIR (Cosmetic Ingredient Review) CIR / INCI: Emollient; Skin conditioning |
|---|---|
| GHS notification summary | 92% (23 / 25) |
| GHS notification summary | 92% (23 / 25) |
|---|
This chemical does not meet GHS hazard criteria for 92% (23 of 25) of all reports.
Reported as not meeting GHS hazard criteria by 23 of 25 companies (only 8% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
isobutyl stearate · CAS 646-13-9 · C22H44O2. UNII V8DPR6HNX3. Boiling Point: 223 °C @ 15 mm Hg; Melting Point: 28.9 °C; Density: 0.8498 @ 20 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 硬脂酸异丁酯