3,7-DIMETHYL-6-OCTEN-1-YL ISOBUTYRATE (CAS 97-89-2) — formula C14H26O2, molecular weight 226.35; category organic chemicals.
3,7-DIMETHYL-6-OCTEN-1-YL ISOBUTYRATE is a carbon-based organic compound with CAS registry number 97-89-2 and molecular formula C14H26O2 (molecular weight 226.35), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 97-89-2
Its molecular formula C14H26O2 comprises 14 C, 26 H, 2 O atoms.
Also known as: 3,7-DIMETHYL-6-OCTEN-1-YL ISOBUTYRATE · citronellyl isobutyrate
Category: organic chemicals
The CAS registry number of 3,7-DIMETHYL-6-OCTEN-1-YL ISOBUTYRATE is 97-89-2.
Molecular formula C14H26O2, molecular weight 226.35.
It is also registered under: 3,7-DIMETHYL-6-OCTEN-1-YL ISOBUTYRATE, citronellyl isobutyrate.
Category: Organic Chemicals.
Public-database records for 3,7-DIMETHYL-6-OCTEN-1-YL ISOBUTYRATE (CAS 97-89-2), reproduced here for independent cross-checking.
| GHS 通报统计 | 99.9% (1633 / 1634) |
|---|
| 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 Fruit, Rose No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS 通报统计 | 99.9% (1633 / 1634) |
| 沸点 | 249.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 249 °C |
| 密度 | 0.870-0.880 |
| 折射率 | 1.440-1.448 |
| CAS 号 | 97-89-2 |
|---|---|
| PubChem CID | 60985 |
| 分子式 | C14H26O2 |
| 分子量 | 226.19 g/mol |
| IUPAC 名称 | 3,7-dimethyloct-6-enyl 2-methylpropanoate |
| InChIKey | ZGPPERKMXSGYRK-UHFFFAOYSA-N |
| UNII（FDA） | 5RZR3JKW1P |
| ChEBI 编号 | CHEBI:171867 |
| FEMA 编号 | 2313 |
| JECFA 编号 | 71 |
Citronellyl isobutyrate; 97-89-2; PROPANOIC ACID, 2-METHYL-, 3,7-DIMETHYL-6-OCTENYL ESTER; FEMA No. 2313; 3,7-Dimethyloct-6-enyl isobutyrate; 3,7-dimethyloct-6-en-1-yl 2-methylpropanoate; 3,7-dimethyloct-6-enyl 2-methylpropanoate; 3,7-Dimethyl-6-octen-1-yl isobutyrate; Isobutyric acid, 3,7-dimethyl-6-octenyl ester; 5RZR3JKW1P; DTXSID7052652; Propanoic acid, 2-methyl-, 3,7-dimethyl-6-octen-1-yl ester; Propanoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl; NSC-46148; DTXCID4031225; RefChem:126598
| 分子量 | 226.35 |
|---|---|
| XLogP3 | 4.8 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 8 |
| 精确质量 | 226.193280068 |
| 单同位素质量 | 226.193280068 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 16 |
| 形式电荷 | 0 |
异丁酸香茅酯 的 CAS 号为 97-89-2，分子式 C14H26O2，分子量 226.19 g/mol。 UNII 5RZR3JKW1P; ChEBI 171867; InChIKey ZGPPERKMXSGYRK-UHFFFAOYSA-N. 沸点: 249.00 °C. @ 760.00 mm Hg; 沸点: 249 °C; 密度: 0.870-0.880.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.