5-[(E)-丙-1-烯基]苯并[1,3]间二氧杂环戊烯（CAS 4043-71-4）：分子式 C10H10O2、分子量 162.18。
| CAS号 | 4043-71-4 |
|---|---|
| 分子式 | C10H10O2 |
| 分子量 | 162.18 |
| 熔点 | 8.2 °C |
| 沸点 | 487 °F at 760 mmHg (NTP, 1992) |
| LogP | 3.1 |
| 应用领域 | Uses: Used to manufacture heliotropin、perfumes、pesticide synergists、root beer flavors、and soaps、[HSDB]、Manufacture of heliotropin、in perfumes.、CHEM INT FOR HELIOTROPIN、FRAGRANCE FOR COSMETICS、FLAVORING AGENT IN ROOT BEER (FORMER USE)、CHEM INT FOR DIHYDROSAFROLE (NON-USA USE).、Safrole and isosafrole can be used as precursors in some synthetic processes that produce 3、4-methylenedioxymethylamphetamine (MDMA).、Table: Concentration in final product (%) [Table#4237]、Use of isosafrole in foods is not permitted in the United States.、DEA Listed Chemicals: Isosafrole、A chemical specified by regulation that、in addition to legitimate uses、is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)、Methods of Manufacturing: By alkaline isomerization of safrole using potassium hydroxide at the boil or an alcoholic sodium hydroxide solution at room temperature under pressure.、According to available data isosafrole only occurs sporadically and then together with safrole but at much lower concentrations than safrole、roughly an order of magnitude lower. It has therefore been speculated、whether isosafrole occurs as an artefact、formed due to heating during the analytical process and、or during the preparation of source material extracts、essential oils、processed foods and others、containing safrole. This supposition is backed up by the fact that isosafrole can be produced by isomerisation of safrole under hot alkaline conditions and hence the possibility that traces of isosafrole may be formed even under neutral conditions.、U.S. Production: (1977) AT LEAST 4.54X10+6 G、In public use before the 1920s. Use in fragrances in the USA amounts to approximately 1000 lb、yr.、Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#4236]、General Manufacturing Information: 1、3-Benzodioxole、5-(1-propen-1-yl)-: ACTIVE、Isosafrole exists as a trans-(E-)isomer (beta-isosafrole) (CAS no:4043-71-4) and as a cis-(Z-)isomer (alfa-isosafrole)、(CAS no:17627-76-8). |
登记用途：Uses: Used to manufacture heliotropin、perfumes、pesticide synergists、root beer flavors、and soaps、[HSDB]、Manufacture of heliotropin、in perfumes.、CHEM INT FOR HELIOTROPIN、FRAGRANCE FOR COSMETICS、FLAVORING AGENT IN ROOT BEER (FORMER USE)、CHEM INT FOR DIHYDROSAFROLE (NON-USA USE).、Safrole and isosafrole can be used as precursors in some synthetic processes that produce 3、4-methylenedioxymethylamphetamine (MDMA).、Table: Concentration in final product (%) [Table#4237]、Use of isosafrole in foods is not permitted in the United States.、DEA Listed Chemicals: Isosafrole、A chemical specified by regulation that、in addition to legitimate uses、is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)、Methods of Manufacturing: By alkaline isomerization of safrole using potassium hydroxide at the boil or an alcoholic sodium hydroxide solution at room temperature under pressure.、According to available data isosafrole only occurs sporadically and then together with safrole but at much lower concentrations than safrole、roughly an order of magnitude lower. It has therefore been speculated、whether isosafrole occurs as an artefact、formed due to heating during the analytical process and、or during the preparation of source material extracts、essential oils、processed foods and others、containing safrole. This supposition is backed up by the fact that isosafrole can be produced by isomerisation of safrole under hot alkaline conditions and hence the possibility that traces of isosafrole may be formed even under neutral conditions.、U.S. Production: (1977) AT LEAST 4.54X10+6 G、In public use before the 1920s. Use in fragrances in the USA amounts to approximately 1000 lb、yr.、Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#4236]、General Manufacturing Information: 1、3-Benzodioxole、5-(1-propen-1-yl)-: ACTIVE、Isosafrole exists as a trans-(E-)isomer (beta-isosafrole) (CAS no:4043-71-4) and as a cis-(Z-)isomer (alfa-isosafrole)、(CAS no:17627-76-8).。
5-[(E)-丙-1-烯基]苯并[1,3]间二氧杂环戊烯 是一种化工化合物，登记 CAS 号为 4043-71-4，分子式 C10H10O2（分子量 162.18）。
登记 CAS 号：4043-71-4
其分子式 C10H10O2 由 10 个碳、10 个氢、2 个氧 组成。
别名/同义词：5-[(E)-丙-1-烯基]苯并[1,3]间二氧杂环戊烯 · 5-[(E)-prop-1-enyl]benzo[1,3]dioxole
5-[(E)-丙-1-烯基]苯并[1,3]间二氧杂环戊烯 的 CAS 登记号为 4043-71-4。
分子式 C10H10O2，分子量 162.18。
别名/同义词：5-[(E)-丙-1-烯基]苯并[1,3]间二氧杂环戊烯、5-[(E)-prop-1-enyl]benzo[1,3]dioxole。
登记用途：Uses: Used to manufacture heliotropin、perfumes、pesticide synergists、root beer flavors、and soaps、[HSDB]、Manufacture of heliotropin、in perfumes.、CHEM INT FOR HELIOTROPIN、FRAGRANCE FOR COSMETICS、FLAVORING AGENT IN ROOT BEER (FORMER USE)、CHEM INT FOR DIHYDROSAFROLE (NON-USA USE).、Safrole and isosafrole can be used as precursors in some synthetic processes that produce 3、4-methylenedioxymethylamphetamine (MDMA).、Table: Concentration in final product (%) [Table#4237]、Use of isosafrole in foods is not permitted in the United States.、DEA Listed Chemicals: Isosafrole、A chemical specified by regulation that、in addition to legitimate uses、is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)、Methods of Manufacturing: By alkaline isomerization of safrole using potassium hydroxide at the boil or an alcoholic sodium hydroxide solution at room temperature under pressure.、According to available data isosafrole only occurs sporadically and then together with safrole but at much lower concentrations than safrole、roughly an order of magnitude lower. It has therefore been speculated、whether isosafrole occurs as an artefact、formed due to heating during the analytical process and、or during the preparation of source material extracts、essential oils、processed foods and others、containing safrole. This supposition is backed up by the fact that isosafrole can be produced by isomerisation of safrole under hot alkaline conditions and hence the possibility that traces of isosafrole may be formed even under neutral conditions.、U.S. Production: (1977) AT LEAST 4.54X10+6 G、In public use before the 1920s. Use in fragrances in the USA amounts to approximately 1000 lb、yr.、Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#4236]、General Manufacturing Information: 1、3-Benzodioxole、5-(1-propen-1-yl)-: ACTIVE、Isosafrole exists as a trans-(E-)isomer (beta-isosafrole) (CAS no:4043-71-4) and as a cis-(Z-)isomer (alfa-isosafrole)、(CAS no:17627-76-8).。
5-[(E)-丙-1-烯基]苯并[1,3]间二氧杂环戊烯（CAS 4043-71-4）的独立参考数据，整理自公开化学数据库。
| CAS 号 | 4043-71-4 |
|---|---|
| PubChem CID | 637796 |
| 分子式 | C10H10O2 |
| IUPAC 名称 | 5-[(E)-prop-1-enyl]-1,3-benzodioxole |
| UNII（FDA） | 94BY31ALL6 |
| Molecular Weight | 162.18 |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 162.068079557 |
| Monoisotopic Mass | 162.068079557 |
| Topological Polar Surface Area | 18.5 |
| Heavy Atom Count | 12 |
| Boiling Point | 487 °F at 760 mmHg (NTP, 1992) |
|---|---|
| Boiling Point | 253 °C |
| Melting Point | 8.2 °C |
| Melting Point | MP: 6.7-6.8 °C |
| Density | 1.1122 at 20 °C |
| Vapor Pressure | 0.02 [mmHg] |
| Vapor Pressure | VP: 0.664 mm Hg at 70 °C |
ISOSAFROLE; Isosafrol; Izosafrol; 5-(1-Propenyl)-1,3-benzodioxole; 120-58-1; 4-Propenyl-1,2-methylenedioxybenzene; 1,3-Benzodioxole, 5-(1-propenyl)-; 4-Propenylcatechol methylene ether; 6-(1-Propenyl)-1,3-benzodioxole; 1,2-Methylenedioxy-4-propenylbenzene; Benzene, 1,2-(methylenedioxy)-4-propenyl-; 3,4-(Methylenedioxy)-1-propenylbenzene; 5-[(E)-prop-1-enyl]-1,3-benzodioxole; 3,4-Methylenedioxy-1-propenyl benzene; DTXCID00767; 1,3-Benzodioxole, 5-(1-propen-1-yl)-
| 已通报的危害声明 | H302 (100%), H315 (12.7%), H341 (86.4%), H350 (86.4%) |
|---|
5-[(E)-丙-1-烯基]苯并[1,3]间二氧杂环戊烯 · CAS 4043-71-4 · C10H10O2. UNII 94BY31ALL6. Boiling Point: 487 °F at 760 mmHg (NTP, 1992); Boiling Point: 253 °C; Melting Point: 8.2 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 5-[(E)-prop-1-enyl]benzo[1,3]dioxole