Benzyl tert-butyl malonate (CAS 72594-86-6) — formula C14H18O4, molecular weight 250.29; category organic chemicals.
| CAS Number | 72594-86-6 |
|---|---|
| Molecular Formula | C14H18O4 |
| Molecular Weight | 250.29 |
| LogP | 2.6 |
| Category | Organic Chemicals |
Benzyl tert-butyl malonate is a carbon-based organic compound with CAS registry number 72594-86-6 and molecular formula C14H18O4 (molecular weight 250.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 72594-86-6
Its molecular formula C14H18O4 comprises 14 C, 18 H, 4 O atoms.
Also known as: Benzyl tert-butyl malonate · 丙二酸叔丁基苄酯
Category: organic chemicals
The CAS registry number of Benzyl tert-butyl malonate is 72594-86-6.
Molecular formula C14H18O4, molecular weight 250.29.
It is also registered under: Benzyl tert-butyl malonate, 丙二酸叔丁基苄酯.
Category: Organic Chemicals.
Independent reference data for Benzyl tert-butyl malonate (CAS 72594-86-6), compiled from public chemistry databases.
| CAS Registry Number | 72594-86-6 |
|---|---|
| PubChem CID | 2736712 |
| Molecular formula | C14H18O4 |
| IUPAC name | 1-O-benzyl 3-O-tert-butyl propanedioate |
| UNII (FDA) | ST50408225 |
| Molecular Weight | 250.29 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 250.12050905 |
| Monoisotopic Mass | 250.12050905 |
| Topological Polar Surface Area | 52.6 |
| Heavy Atom Count | 18 |
BENZYL TERT-BUTYL MALONATE; 72594-86-6; DTXSID60371546; RefChem:328714; DTXCID30322580; 639-332-1; Benzyltert-butylmalonate; MFCD01075175; 1-O-benzyl 3-O-tert-butyl propanedioate; t-butyl benzyl malonate; Propanedioic acid, 1,1-dimethylethyl phenylmethyl ester; tert-Butyl benzyl malonate; tert-butyl phenylmethyl propane-1,3-dioate; 1-BENZYL 3-TERT-BUTYL PROPANEDIOATE; SCHEMBL394244; Benzyl tert-butyl propanedioate
| Reported hazard statements | H315 (100%), H319 (100%), H335 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Benzyl tert-butyl malonate · CAS 72594-86-6 · C14H18O4. UNII ST50408225.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 丙二酸叔丁基苄酯