2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester, (E)- (CAS 85180-66-1) — formula C14H18O2, molecular weight 218.29; category organic chemicals.
| CAS Number | 85180-66-1 |
|---|---|
| Molecular Formula | C14H18O2 |
| Molecular Weight | 218.29 |
| Boiling Point | 310 °C |
| LogP | 4.3 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester: ACTIVE.
2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester, (E)- is a carbon-based organic compound with CAS registry number 85180-66-1 and molecular formula C14H18O2 (molecular weight 218.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85180-66-1
Its molecular formula C14H18O2 comprises 14 C, 18 H, 2 O atoms.
Also known as: 2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester, (E)- · 2-丙烯酸，3-苯基-，3-甲基丁酯，(E)-
Category: organic chemicals
The CAS registry number of 2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester, (E)- is 85180-66-1.
Molecular formula C14H18O2, molecular weight 218.29.
It is also registered under: 2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester, (E)-, 2-丙烯酸，3-苯基-，3-甲基丁酯，(E)-.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester, (E)- (CAS 85180-66-1), compiled from public chemistry databases.
| CAS 号 | 85180-66-1 |
|---|---|
| PubChem CID | 5273467 |
| 分子式 | C14H18O2 |
| IUPAC 名称 | 3-methylbutyl (E)-3-phenylprop-2-enoate |
| UNII（FDA） | AB60R20S7J |
| FEMA 编号 | 2063 |
| JECFA 编号 | 665 |
| Molecular Weight | 218.29 |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 218.130679813 |
| Monoisotopic Mass | 218.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 16 |
| Boiling Point | 310 °C |
|---|---|
| Density | 0.992-0.997 |
| Refractive Index | 1.533-1.541 |
Isopentyl cinnamate; Isoamyl cinnamate; 7779-65-9; Isopentyl alcohol, cinnamate; Cinnamic acid, isopentyl ester; FEMA No. 2063; 2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester; AB60R20S7J; DTXCID405454; DTXSID4025454; RefChem:791545; 231-931-2; 3-methylbutyl (E)-3-phenylprop-2-enoate; Isopentyl 3-phenylacrylate; 3-methylbutyl (2E)-3-phenylprop-2-enoate; Isoamyl beta-phenylacrylate
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS 通报统计 | 100% (295 / 295) |
| GHS 通报统计 | 100% (295 / 295) |
|---|
2-丙烯酸，3-苯基-，3-甲基丁酯，(E)- · CAS 85180-66-1 · C14H18O2. UNII AB60R20S7J. Boiling Point: 310 °C; Density: 0.992-0.997; Refractive Index: 1.533-1.541.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-丙烯酸，3-苯基-，3-甲基丁酯，(E)-