1-ethylhexyl 2-methylcrotonate (CAS 94133-92-3) — formula C13H24O2, molecular weight 212.33; category organic chemicals.
| CAS Number | 94133-92-3 |
|---|---|
| Molecular Formula | C13H24O2 |
| Molecular Weight | 212.33 |
| Boiling Point | 94-96 °C (60 mm Hg) |
| LogP | 4.6 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
1-ethylhexyl 2-methylcrotonate is a carbon-based organic compound with CAS registry number 94133-92-3 and molecular formula C13H24O2 (molecular weight 212.33), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94133-92-3
Its molecular formula C13H24O2 comprises 13 C, 24 H, 2 O atoms.
Also known as: 1-ethylhexyl 2-methylcrotonate · 2-甲基巴豆酸1-乙基己酯
Category: organic chemicals
The CAS registry number of 1-ethylhexyl 2-methylcrotonate is 94133-92-3.
Molecular formula C13H24O2, molecular weight 212.33.
It is also registered under: 1-ethylhexyl 2-methylcrotonate, 2-甲基巴豆酸1-乙基己酯.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
Category: Organic Chemicals.
Independent reference data for 1-ethylhexyl 2-methylcrotonate (CAS 94133-92-3), compiled from public chemistry databases.
| CAS Registry Number | 94133-92-3 |
|---|---|
| PubChem CID | 6008212 |
| Molecular formula | C13H24O2 |
| IUPAC name | octan-3-yl (E)-2-methylbut-2-enoate |
| UNII (FDA) | 8V8567YK6H |
| FEMA number | 3676 |
| JECFA number | 448 |
| Molecular Weight | 212.33 |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 212.177630004 |
| Monoisotopic Mass | 212.177630004 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 15 |
| Boiling Point | 94-96 °C (60 mm Hg) |
|---|---|
| Density | 0.879-0.885 |
| Refractive Index | 1.441-1.447 |
1-Ethylhexyl tiglate; 3-Octyl tiglate; 94133-92-3; 3-Octyl 2-methylcrotonate; FEMA No. 3676; 1-Ethylhexyl 2-methylcrotonate; 3-Octyl trans-2-methyl-2-butenoate; EINECS 302-757-5; 1-Ethylhexyl 2-methyl-2-butenoate, (E)-; 8V8567YK6H; 2-Butenoic acid, 2-methyl-, 1-ethylhexyl ester, (E)-; 1-ETHYLHEXYL TIGLATE [FHFI]; 2-Butenoic acid, 2-methyl-, 1-ethylhexyl ester, (2E)-; RefChem:432634; 1-Ethylhexyl (2E)-2-methyl-2-butenoate; 302-757-5
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Spice No safety concern at current levels of intake when used as a flavouring agent |
|---|
1-ethylhexyl 2-methylcrotonate · CAS 94133-92-3 · C13H24O2. UNII 8V8567YK6H. Boiling Point: 94-96 °C (60 mm Hg); Density: 0.879-0.885; Refractive Index: 1.441-1.447.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-甲基巴豆酸1-乙基己酯