tributyl O-acetylcitrate (ATBC)(CAS 77-90-7):分子式 C20H34O8、分子量 402.5。
tributyl O-acetylcitrate (ATBC) 是一种化工化合物,登记 CAS 号为 77-90-7,分子式 C20H34O8(分子量 402.5)。
登记 CAS 号:77-90-7
其分子式 C20H34O8 由 20 个碳、34 个氢、8 个氧 组成。
别名/同义词:tributyl O-acetylcitrate (ATBC) · Acetyl Tributyl Citrate
tributyl O-acetylcitrate (ATBC) 的 CAS 登记号为 77-90-7。
分子式 C20H34O8,分子量 402.5。
别名/同义词:tributyl O-acetylcitrate (ATBC)、Acetyl Tributyl Citrate。
tributyl O-acetylcitrate (ATBC)(CAS 77-90-7)的公开数据库记录,列此仅供独立核对。
| GHS notification summary | 98.6% (2150 / 2180) |
|---|
This chemical does not meet GHS hazard criteria for 98.6% (2150 of 2180) of all reports.
Reported as not meeting GHS hazard criteria by 2150 of 2180 companies (only 1.4% companies provided GHS information). 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 FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral |
|---|---|
| GHS notification summary | 98.6% (2150 / 2180) |
| 沸点 | 331 °C at 732 mm Hg |
|---|---|
| 沸点 | 172.00 to 173.00 °C. @ 1.00 mm Hg |
| 沸点 | 172-174 °C (1 mm Hg) |
| 熔点 | -80 °C |
| 闪点 | 204 °C |
| 闪点 | 113 °C - closed cup |
| 溶解度 | In water, 4.49 mg/L at 20 °C |
| 溶解度 | In water, 1.7 mg/L at 25 °C |
| 溶解度 | 0.005 mg/mL |
| 密度 | 1.046 at 25 °C |
| CAS Registry Number | 77-90-7 |
|---|---|
| PubChem CID | 6505 |
| 分子式 | C20H34O8 |
| IUPAC 名称 | tributyl 2-acetyloxypropane-1,2,3-tricarboxylate |
| UNII(FDA) | 0ZBX0N59RZ |
| FEMA 编号 | 3080 |
| JECFA 编号 | 630 |
ACETYL TRIBUTYL CITRATE; 77-90-7; tributyl 2-acetoxypropane-1,2,3-tricarboxylate; Acetyltributyl citrate; Tributyl acetylcitrate; Citroflex A; Blo-trol; Citroflex A 4; Tributyl citrate acetate; ATBC; 2-Acetyltributylcitrate; Tributyl acetyl citrate; FEMA No. 3080; Acetylcitric acid, tributyl ester; Citric acid, tributyl ester, acetate; DTXSID2026446
| 分子量 | 402.5 |
|---|---|
| XLogP3 | 3.3 |
| 氢键供体数 | 0 |
| 氢键受体数 | 8 |
| 可旋转键数 | 19 |
| 精确质量 | 402.22536804 |
| 单同位素质量 | 402.22536804 |
| 拓扑极性表面积 | 105 |
| 重原子数 | 28 |
| 形式电荷 | 0 |
tributyl O-acetylcitrate (ATBC) · CAS 77-90-7 · C20H34O8. UNII 0ZBX0N59RZ. 沸点: 331 °C at 732 mm Hg; 沸点: 172.00 to 173.00 °C. @ 1.00 mm Hg; 沸点: 172-174 °C (1 mm Hg).
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。