3-methylbutyl heptanoate (CAS 109-25-1) — formula C12H24O2, molecular weight 200.32; category organic chemicals.
| CAS Number | 109-25-1 |
|---|---|
| Molecular Formula | C12H24O2 |
| Molecular Weight | 200.32 |
| LogP | 4.3 |
| Applications | General Manufacturing Information: Heptanoic acid, 3-methylbutyl ester: INACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: Heptanoic acid, 3-methylbutyl ester: INACTIVE.
3-methylbutyl heptanoate is a carbon-based organic compound with CAS registry number 109-25-1 and molecular formula C12H24O2 (molecular weight 200.32), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 109-25-1
Its molecular formula C12H24O2 comprises 12 C, 24 H, 2 O atoms.
Also known as: 3-methylbutyl heptanoate · 庚酸3-甲基丁酯
Category: organic chemicals
The CAS registry number of 3-methylbutyl heptanoate is 109-25-1.
Molecular formula C12H24O2, molecular weight 200.32.
It is also registered under: 3-methylbutyl heptanoate, 庚酸3-甲基丁酯.
Recorded applications: General Manufacturing Information: Heptanoic acid, 3-methylbutyl ester: INACTIVE.
Category: Organic Chemicals.
Independent reference data for 3-methylbutyl heptanoate (CAS 109-25-1), compiled from public chemistry databases.
| CAS Registry Number | 109-25-1 |
|---|---|
| PubChem CID | 66955 |
| Molecular formula | C12H24O2 |
| IUPAC name | 3-methylbutyl heptanoate |
| UNII (FDA) | BK698490B6 |
| Molecular Weight | 200.32 |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 9 |
| Exact Mass | 200.177630004 |
| Monoisotopic Mass | 200.177630004 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
3-Methylbutyl heptanoate; Isoamyl heptanoate; 109-25-1; Heptanoic acid, 3-methylbutyl ester; Isopentyl heptanoate; EINECS 203-658-9; BK698490B6; AI3-33579; DTXSID6059366; HEPTANOIC ACID, ISOPENTYL ESTER; RefChem:791547; DTXCID1033119; 203-658-9; iso-Amyl n-heptanoate; Heptanoic acid,3-methylbutyl ester; UNII-BK698490B6
| Regulatory & Food Contact | EU Flavoring substances Flavoring Agents |
|---|---|
| GHS notification summary | 100% (90 / 90) |
| GHS notification summary | 100% (90 / 90) |
|---|
This chemical does not meet GHS hazard criteria for 100% (90 of 90) of all reports.
Reported as not meeting GHS hazard criteria by 90 of 90 companies. For more detailed information, please visit ECHA C&L website.
3-methylbutyl heptanoate · CAS 109-25-1 · C12H24O2. UNII BK698490B6.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 庚酸3-甲基丁酯