2-methylbutyl butyrate (CAS 51115-64-1) — formula C9H18O2, molecular weight 158.24; category organic chemicals.
| CAS Number | 51115-64-1 |
|---|---|
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.24 |
| LogP | 2.6 |
| Applications | Use Classification: Fragrance Ingredients, General Manufacturing Information: Butanoic acid, 2-methylbutyl ester: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, General Manufacturing Information: Butanoic acid, 2-methylbutyl ester: ACTIVE.
2-methylbutyl butyrate is a carbon-based organic compound with CAS registry number 51115-64-1 and molecular formula C9H18O2 (molecular weight 158.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 51115-64-1
Its molecular formula C9H18O2 comprises 9 C, 18 H, 2 O atoms.
Also known as: 2-methylbutyl butyrate · 丁酸2-甲基丁酯
Category: organic chemicals
The CAS registry number of 2-methylbutyl butyrate is 51115-64-1.
Molecular formula C9H18O2, molecular weight 158.24.
It is also registered under: 2-methylbutyl butyrate, 丁酸2-甲基丁酯.
Recorded applications: Use Classification: Fragrance Ingredients, General Manufacturing Information: Butanoic acid, 2-methylbutyl ester: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 2-methylbutyl butyrate (CAS 51115-64-1), compiled from public chemistry databases.
| CAS Registry Number | 51115-64-1 |
|---|---|
| PubChem CID | 162627 |
| Molecular formula | C9H18O2 |
| IUPAC name | 2-methylbutyl butanoate |
| UNII (FDA) | NS00012859 |
| Molecular Weight | 158.24 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 158.130679813 |
| Monoisotopic Mass | 158.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 11 |
2-Methylbutyl butyrate; 51115-64-1; Butanoic acid, 2-methylbutyl ester; EINECS 256-973-9; WE(4:0(2Me)/4:0); AI3-33702; DTXSID80866181; RefChem:571395; DTXCID10814498; 256-973-9; 2-methylbutyl butanoate; MFCD30176466; 2-Methylbutylbutyrate; Butyric acid (2-methylbutyl) ester; 2-Methylbutyl Dutyrate; Isoamyl butyrate(kosher)
| Regulatory & Food Contact | EU Flavoring substances Flavoring Agents |
|---|---|
| GHS notification summary | 21.8% (125 / 573) |
| GHS notification summary | 21.8% (125 / 573) |
|---|---|
| Reported hazard statements | H226 (71.6%) |
This chemical does not meet GHS hazard criteria for 21.8% (125 of 573) of reports.
H226 (71.6%): Flammable liquid and vapor [Warning Flammable liquids]
2-methylbutyl butyrate · CAS 51115-64-1 · C9H18O2. UNII NS00012859.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 丁酸2-甲基丁酯