Butan-3-one-2-yl butanoate（CAS 84642-61-5）：分子式 C8H14O3、分子量 158.09 g/mol。
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes。
Butan-3-one-2-yl butanoate 是一种化工化合物，登记 CAS 号为 84642-61-5，分子式 C8H14O3（分子量 158.09 g/mol）。
登记 CAS 号：84642-61-5
其分子式 C8H14O3 由 8 个碳、14 个氢、3 个氧 组成。
别名/同义词：Butan-3-one-2-yl butanoate · 1-methyl-2-oxopropyl butyrate
Butan-3-one-2-yl butanoate 的 CAS 登记号为 84642-61-5。
分子式 C8H14O3，分子量 158.09 g/mol。
别名/同义词：Butan-3-one-2-yl butanoate、1-methyl-2-oxopropyl butyrate。
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes。
Butan-3-one-2-yl butanoate（CAS 84642-61-5）的公开数据库记录，列此仅供独立核对。
| GHS notification summary | 100% (92 / 92) |
|---|
This chemical does not meet GHS hazard criteria for 100% (92 of 92) of all reports.
Reported as not meeting GHS hazard criteria by 92 of 92 companies. For more detailed information, please visit ECHA C&L website.
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Mouthfeel No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 100% (92 / 92) |
| 沸点 | 76 °C (11 mm Hg) |
|---|---|
| 密度 | 0.972-0.992 |
| 折射率 | 1.408-1.429 |
| CAS Registry Number | 84642-61-5 |
|---|---|
| PubChem CID | 529253 |
| 分子式 | C8H14O3 |
| 分子量 | 158.09 g/mol |
| IUPAC 名称 | 3-oxobutan-2-yl butanoate |
| InChIKey | LJDWJXUIGKSETE-UHFFFAOYSA-N |
| UNII（FDA） | SEN8DCI58L |
| ChEBI 编号 | CHEBI:173671 |
| FEMA 编号 | 3332 |
| JECFA 编号 | 407 |
1-Methyl-2-oxopropyl butyrate; Butan-3-one-2-yl butanoate; Acetoyl butyrate; 84642-61-5; 3-oxobutan-2-yl butanoate; 1-Methyl-2-oxopropyl butanoate; FEMA No. 3332; SEN8DCI58L; Butanoic acid, 1-methyl-2-oxopropyl ester; EINECS 283-438-7; Butan-3-one-2-yl butanoate (natural); DTXSID601305714; BUTAN-3-ONE-2-YL BUTANOATE [FCC]; BUTAN-3-ONE-2-YL BUTANOATE [FHFI]; RefChem:570567; DTXCID201735692
| 分子量 | 158.19 |
|---|---|
| XLogP3 | 1.1 |
| 氢键供体数 | 0 |
| 氢键受体数 | 3 |
| 可旋转键数 | 5 |
| 精确质量 | 158.094294304 |
| 单同位素质量 | 158.094294304 |
| 拓扑极性表面积 | 43.4 |
| 重原子数 | 11 |
| 形式电荷 | 0 |
Butan-3-one-2-yl butanoate is identified by CAS 84642-61-5, molecular formula C8H14O3 and molecular weight 158.09 g/mol. UNII SEN8DCI58L; ChEBI 173671; InChIKey LJDWJXUIGKSETE-UHFFFAOYSA-N. 沸点: 76 °C (11 mm Hg); 密度: 0.972-0.992; Refractive Index: 1.408-1.429.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。