硬脂酸乙酸（CAS 111-61-5）：分子式 C20H40O2、分子量 312.5。
| CAS号 | 111-61-5 |
|---|---|
| 分子式 | C20H40O2 |
| 分子量 | 312.5 |
| 熔点 | 33.4 °C |
| 沸点 | 213.00 to 215.00 °C. @ 15.00 mm Hg |
| LogP | 8.9 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Emollient、General Manufacturing Information: Octadecanoic acid、ethyl ester: ACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Emollient、General Manufacturing Information: Octadecanoic acid、ethyl ester: ACTIVE。
硬脂酸乙酸 是一种化工化合物，登记 CAS 号为 111-61-5，分子式 C20H40O2（分子量 312.5）。
登记 CAS 号：111-61-5
其分子式 C20H40O2 由 20 个碳、40 个氢、2 个氧 组成。
别名/同义词：硬脂酸乙酸 · Ethyl stearate
硬脂酸乙酸 的 CAS 登记号为 111-61-5。
分子式 C20H40O2，分子量 312.5。
别名/同义词：硬脂酸乙酸、Ethyl stearate。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Emollient、General Manufacturing Information: Octadecanoic acid、ethyl ester: ACTIVE。
硬脂酸乙酸（CAS 111-61-5）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 111-61-5 |
|---|---|
| PubChem CID | 8122 |
| Molecular formula | C20H40O2 |
| Molecular weight | 312.30 g/mol |
| IUPAC name | ethyl octadecanoate |
| InChIKey | MVLVMROFTAUDAG-UHFFFAOYSA-N |
| UNII (FDA) | C64RTC734W |
| ChEBI ID | CHEBI:84936 |
| FEMA number | 3490 |
| JECFA number | 40 |
| Molecular Weight | 312.5 |
|---|---|
| XLogP3 | 8.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 18 |
| Exact Mass | 312.302830514 |
| Monoisotopic Mass | 312.302830514 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 22 |
| Boiling Point | 213.00 to 215.00 °C. @ 15.00 mm Hg |
|---|---|
| Boiling Point | 105 °C at 11mm Hg |
| Melting Point | 33.4 °C |
| Density | 0.880-0.900 |
| Refractive Index | 1.420-1.440 |
ETHYL STEARATE; Ethyl octadecanoate; 111-61-5; Stearic acid ethyl ester; Octadecanoic acid, ethyl ester; Ethyl n-octadecanoate; Stearic acid, ethyl ester; FEMA No. 3490; octadecanoic acid ethyl ester; C64RTC734W; NSC-8919; DTXSID5059406; CHEBI:84936; RefChem:139058; DTXCID5033202; 203-887-4
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 868-JECFA 46/21 |
|---|---|
| GHS notification summary | 0.7% (1 / 138) |
| GHS notification summary | 0.7% (1 / 138) |
|---|---|
| Reported hazard statements | H315 (99.3%), H319 (99.3%), H335 (39.9%) |
This chemical does not meet GHS hazard criteria for 0.7% (1 of 138) of reports.
H315 (99.3%): Causes skin irritation [Warning Skin corrosion/irritation]
Ethyl stearate is identified by CAS 111-61-5, molecular formula C20H40O2 and molecular weight 312.30 g/mol. UNII C64RTC734W; ChEBI 84936; InChIKey MVLVMROFTAUDAG-UHFFFAOYSA-N. Boiling Point: 213.00 to 215.00 °C. @ 15.00 mm Hg; Boiling Point: 105 °C at 11mm Hg; Melting Point: 33.4 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Ethyl stearate