Terpinyl isobutyrate (CAS 7774-65-4) — formula C14H24O2, molecular weight 224.18 g/mol.
Terpinyl isobutyrate is a chemical compound with CAS registry number 7774-65-4 and molecular formula C14H24O2 (molecular weight 224.18 g/mol).
CAS number: 7774-65-4
Its molecular formula C14H24O2 comprises 14 C, 24 H, 2 O atoms.
Also known as: Terpinyl isobutyrate · 1-methyl-1-(4-methylcyclohex-3-enyl)ethyl isobutyrate
The CAS registry number of Terpinyl isobutyrate is 7774-65-4.
Molecular formula C14H24O2, molecular weight 224.18 g/mol.
It is also registered under: Terpinyl isobutyrate, 1-methyl-1-(4-methylcyclohex-3-enyl)ethyl isobutyrate.
Public-database records for Terpinyl isobutyrate (CAS 7774-65-4), reproduced here for independent cross-checking.
| GHS notification summary | 7.3% (103 / 1413) |
|---|---|
| Reported hazard statements | H315 (92.7%), H319 (92.7%) |
This chemical does not meet GHS hazard criteria for 7.3% (103 of 1413) of reports.
H315 (92.7%): Causes skin irritation [Warning Skin corrosion/irritation]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 7.3% (103 / 1413) |
| 沸点 | 242.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 242 °C |
| 密度 | 0.931-0.942 |
| 折射率 | 1.457-1.463 |
| CAS Registry Number | 7774-65-4 |
|---|---|
| PubChem CID | 522673 |
| 分子式 | C14H24O2 |
| 分子量 | 224.18 g/mol |
| IUPAC 名称 | 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 2-methylpropanoate |
| InChIKey | SMQUXKIIXFOJKI-UHFFFAOYSA-N |
| UNII（FDA） | Z55SZR66DG |
| ChEBI 编号 | CHEBI:171786 |
| FEMA 编号 | 3050 |
| JECFA 编号 | 371 |
Terpinyl isobutyrate; 7774-65-4; 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 2-methylpropanoate; FEMA No. 3050; P-Menth-1-en-8-yl isobutyrate; .alpha.-Terpinyl isobutyrate; alpha-terpinyl isobutyrate; Propanoic acid, 2-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester; UNII-Z55SZR66DG; EINECS 231-878-5; Z55SZR66DG; BRN 3129659; p-menth-1-en-8-yl-isobutyrate; 1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl 2-methylpropanoate; .alpha.-Terpinyl ester of isobutanoic acid; DTXSID50864114
| 分子量 | 224.34 |
|---|---|
| XLogP3 | 3.5 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 4 |
| 精确质量 | 224.177630004 |
| 单同位素质量 | 224.177630004 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 16 |
| 形式电荷 | 0 |
Terpinyl isobutyrate is identified by CAS 7774-65-4, molecular formula C14H24O2 and molecular weight 224.18 g/mol. UNII Z55SZR66DG; ChEBI 171786; InChIKey SMQUXKIIXFOJKI-UHFFFAOYSA-N. 沸点: 242.00 °C. @ 760.00 mm Hg; 沸点: 242 °C; 密度: 0.931-0.942.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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