乙酸大茴香酯（CAS 104-21-2）：分子式 C10H12O3、分子量 180.20。
| CAS号 | 104-21-2 |
|---|---|
| 分子式 | C10H12O3 |
| 分子量 | 180.20 |
| 熔点 | 84 °C |
| 沸点 | 137.00 °C. @ 12.00 mm Hg |
| LogP | 1.9 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Industry Uses: Fragrance、Not Known or Reasonably Ascertainable、Consumer Uses: Not Known or Reasonably Ascertainable、Fragrance、Household Products: Information on 1 consumer products that contain Anisyl Acetate in the following categories is provided:、• Inside the Home、Information on 9 consumer products that contain p-Methoxybenzyl acetate in the following categories is provided:、• Personal Care、U.S. Production: 2023: 20、439 lb、2022: 27、240 lb、2021: 28、278 lb、2020: 19、149 lb、General Manufacturing Information: All Other Basic Organic Chemical Manufacturing、All Other Chemical Product and Preparation Manufacturing、Benzenemethanol、4-methoxy-、1-acetate: ACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Industry Uses: Fragrance、Not Known or Reasonably Ascertainable、Consumer Uses: Not Known or Reasonably Ascertainable、Fragrance、Household Products: Information on 1 consumer products that contain Anisyl Acetate in the following categories is provided:、• Inside the Home、Information on 9 consumer products that contain p-Methoxybenzyl acetate in the following categories is provided:、• Personal Care、U.S. Production: 2023: 20、439 lb、2022: 27、240 lb、2021: 28、278 lb、2020: 19、149 lb、General Manufacturing Information: All Other Basic Organic Chemical Manufacturing、All Other Chemical Product and Preparation Manufacturing、Benzenemethanol、4-methoxy-、1-acetate: ACTIVE。
乙酸大茴香酯 是一种化工化合物，登记 CAS 号为 104-21-2，分子式 C10H12O3（分子量 180.20）。
登记 CAS 号：104-21-2
其分子式 C10H12O3 由 10 个碳、12 个氢、3 个氧 组成。
别名/同义词：乙酸大茴香酯 · ANISYL ACETATE
乙酸大茴香酯 的 CAS 登记号为 104-21-2。
分子式 C10H12O3，分子量 180.20。
别名/同义词：乙酸大茴香酯、ANISYL ACETATE。
登记用途：Use Classification: Fragrance Ingredients、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Industry Uses: Fragrance、Not Known or Reasonably Ascertainable、Consumer Uses: Not Known or Reasonably Ascertainable、Fragrance、Household Products: Information on 1 consumer products that contain Anisyl Acetate in the following categories is provided:、• Inside the Home、Information on 9 consumer products that contain p-Methoxybenzyl acetate in the following categories is provided:、• Personal Care、U.S. Production: 2023: 20、439 lb、2022: 27、240 lb、2021: 28、278 lb、2020: 19、149 lb、General Manufacturing Information: All Other Basic Organic Chemical Manufacturing、All Other Chemical Product and Preparation Manufacturing、Benzenemethanol、4-methoxy-、1-acetate: ACTIVE。
乙酸大茴香酯（CAS 104-21-2）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 104-21-2 |
|---|---|
| PubChem CID | 7695 |
| Molecular formula | C10H12O3 |
| Molecular weight | 180.08 g/mol |
| IUPAC name | (4-methoxyphenyl)methyl acetate |
| InChIKey | HFNGYHHRRMSKEU-UHFFFAOYSA-N |
| UNII (FDA) | 2GEC7KBO31 |
| ChEBI ID | CHEBI:193729 |
| FEMA number | 2098 |
| JECFA number | 873 |
| Molecular Weight | 180.20 |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 180.078644241 |
| Monoisotopic Mass | 180.078644241 |
| Topological Polar Surface Area | 35.5 |
| Heavy Atom Count | 13 |
| Boiling Point | 137.00 °C. @ 12.00 mm Hg |
|---|---|
| Boiling Point | 235 °C |
| Melting Point | 84 °C |
| Density | 1.104-1.111 |
| Refractive Index | 1.511-1.517 |
4-Methoxybenzyl acetate; Anisyl acetate; 104-21-2; (4-methoxyphenyl)methyl acetate; Benzyl alcohol, p-methoxy-, acetate; Benzenemethanol, 4-methoxy-, acetate; FEMA No. 2098; DTXSID1044770; 2GEC7KBO31; NSC-46102; DTXCID9024770; RefChem:112843; 203-185-8; 215-562-4; Cassie ketone; P-METHOXYBENZYL ACETATE
| 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 | 75.1% (1304 / 1736) |
| GHS notification summary | 75.1% (1304 / 1736) |
|---|---|
| Reported hazard statements | H315 (18.8%), H319 (17.1%) |
This chemical does not meet GHS hazard criteria for 75.1% (1304 of 1736) of all reports.
H315 (18.8%): Causes skin irritation [Warning Skin corrosion/irritation]
ANISYL ACETATE is identified by CAS 104-21-2, molecular formula C10H12O3 and molecular weight 180.08 g/mol. UNII 2GEC7KBO31; ChEBI 193729; InChIKey HFNGYHHRRMSKEU-UHFFFAOYSA-N. Boiling Point: 137.00 °C. @ 12.00 mm Hg; Boiling Point: 235 °C; Melting Point: 84 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: ANISYL ACETATE