二氢黄樟醇（CAS 94-58-6）：分子式 C10H12O2、分子量 164.20。
| CAS号 | 94-58-6 |
|---|---|
| 分子式 | C10H12O2 |
| 分子量 | 164.20 |
| 沸点 | 228 °C |
| LogP | 3.2 |
| 应用领域 | Uses: Used in essential oil compositions、Formerly used as a fragrance in cosmetics and a flavoring agent in root beer、Used outside the US to make piperonyl butoxide、[HSDB]、Essential oil compositions.、FRAGRANCE IN COSMETICS (FORMER USE)、FLAVORING AGENT IN ROOT BEER (FORMER USE)、CHEM INT FOR PIPERONYL BUTOXIDE (NON-USA USE).、In public use since the 1950s. Use if fragrances in the USA amounts to less than 2000 lb、yr.、Table: Concentration in final product (%) [Table#4304]、Prohibited for use in food.、Industry Uses: Not Known or Reasonably Ascertainable、Household Products: Cosmetics product ingredient: Dihydrosafrole、Reason for Listing:、- Known to cause cancer under Health and Safety Code section 25249.8 of the California Safe Drinking Water and Toxic Enforcement Act of 1986 (Prop 65).、- Category 2B carcinogen identified by the International Agency for Research on Cancer.、Potential Health Impacts: Carcinogenicity、Product count: 17、Methods of Manufacturing: CATALYTIC HYDROGENATION OF SAFROLE OR ISOSAFROLE.、From safrole or isosafrole by hydrogenation over nickel at 200 °C、by hyrdogenation of either safrole in alcoholic solution in the presence of palladium or activated carbon or of 3、4-methylenedioxy cinnamic aldehyde.、U.S. Production: 2023: 50、000 - <250、000 lb、2022: 250、000 - <550、2021: 250、2020: 250、(1977) AT LEAST 1.82X10+8 G、(1982) NOT PRODUCED COMMERCIALLY IN USA.、Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#4302]、Non-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 1、2-(Methylenedioxy)-4-propylbenzene:、Table: National Aggregate Production Volume (pounds) [Table#4303]、General Manufacturing Information: Pesticide、Fertilizer、and Other Agricultural Chemical Manufacturing、1、3-Benzodioxole、5-propyl-: ACTIVE、Although there is no evidence that ...、it、is produced commercially in USA、it is known to be produced as intermediate in the prodn of piperonyl butoxide ... |
登记用途：Uses: Used in essential oil compositions、Formerly used as a fragrance in cosmetics and a flavoring agent in root beer、Used outside the US to make piperonyl butoxide、[HSDB]、Essential oil compositions.、FRAGRANCE IN COSMETICS (FORMER USE)、FLAVORING AGENT IN ROOT BEER (FORMER USE)、CHEM INT FOR PIPERONYL BUTOXIDE (NON-USA USE).、In public use since the 1950s. Use if fragrances in the USA amounts to less than 2000 lb、yr.、Table: Concentration in final product (%) [Table#4304]、Prohibited for use in food.、Industry Uses: Not Known or Reasonably Ascertainable、Household Products: Cosmetics product ingredient: Dihydrosafrole、Reason for Listing:、- Known to cause cancer under Health and Safety Code section 25249.8 of the California Safe Drinking Water and Toxic Enforcement Act of 1986 (Prop 65).、- Category 2B carcinogen identified by the International Agency for Research on Cancer.、Potential Health Impacts: Carcinogenicity、Product count: 17、Methods of Manufacturing: CATALYTIC HYDROGENATION OF SAFROLE OR ISOSAFROLE.、From safrole or isosafrole by hydrogenation over nickel at 200 °C、by hyrdogenation of either safrole in alcoholic solution in the presence of palladium or activated carbon or of 3、4-methylenedioxy cinnamic aldehyde.、U.S. Production: 2023: 50、000 - <250、000 lb、2022: 250、000 - <550、2021: 250、2020: 250、(1977) AT LEAST 1.82X10+8 G、(1982) NOT PRODUCED COMMERCIALLY IN USA.、Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#4302]、Non-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 1、2-(Methylenedioxy)-4-propylbenzene:、Table: National Aggregate Production Volume (pounds) [Table#4303]、General Manufacturing Information: Pesticide、Fertilizer、and Other Agricultural Chemical Manufacturing、1、3-Benzodioxole、5-propyl-: ACTIVE、Although there is no evidence that ...、it、is produced commercially in USA、it is known to be produced as intermediate in the prodn of piperonyl butoxide ...。
二氢黄樟醇 是一种化工化合物，登记 CAS 号为 94-58-6，分子式 C10H12O2（分子量 164.20）。
登记 CAS 号：94-58-6
其分子式 C10H12O2 由 10 个碳、12 个氢、2 个氧 组成。
别名/同义词：二氢黄樟醇 · Dihydrosafrol
二氢黄樟醇 的 CAS 登记号为 94-58-6。
分子式 C10H12O2，分子量 164.20。
别名/同义词：二氢黄樟醇、Dihydrosafrol。
登记用途：Uses: Used in essential oil compositions、Formerly used as a fragrance in cosmetics and a flavoring agent in root beer、Used outside the US to make piperonyl butoxide、[HSDB]、Essential oil compositions.、FRAGRANCE IN COSMETICS (FORMER USE)、FLAVORING AGENT IN ROOT BEER (FORMER USE)、CHEM INT FOR PIPERONYL BUTOXIDE (NON-USA USE).、In public use since the 1950s. Use if fragrances in the USA amounts to less than 2000 lb、yr.、Table: Concentration in final product (%) [Table#4304]、Prohibited for use in food.、Industry Uses: Not Known or Reasonably Ascertainable、Household Products: Cosmetics product ingredient: Dihydrosafrole、Reason for Listing:、- Known to cause cancer under Health and Safety Code section 25249.8 of the California Safe Drinking Water and Toxic Enforcement Act of 1986 (Prop 65).、- Category 2B carcinogen identified by the International Agency for Research on Cancer.、Potential Health Impacts: Carcinogenicity、Product count: 17、Methods of Manufacturing: CATALYTIC HYDROGENATION OF SAFROLE OR ISOSAFROLE.、From safrole or isosafrole by hydrogenation over nickel at 200 °C、by hyrdogenation of either safrole in alcoholic solution in the presence of palladium or activated carbon or of 3、4-methylenedioxy cinnamic aldehyde.、U.S. Production: 2023: 50、000 - <250、000 lb、2022: 250、000 - <550、2021: 250、2020: 250、(1977) AT LEAST 1.82X10+8 G、(1982) NOT PRODUCED COMMERCIALLY IN USA.、Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#4302]、Non-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 1、2-(Methylenedioxy)-4-propylbenzene:、Table: National Aggregate Production Volume (pounds) [Table#4303]、General Manufacturing Information: Pesticide、Fertilizer、and Other Agricultural Chemical Manufacturing、1、3-Benzodioxole、5-propyl-: ACTIVE、Although there is no evidence that ...、it、is produced commercially in USA、it is known to be produced as intermediate in the prodn of piperonyl butoxide ...。
二氢黄樟醇（CAS 94-58-6）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 94-58-6 |
|---|---|
| PubChem CID | 7197 |
| Molecular formula | C10H12O2 |
| IUPAC name | 5-propyl-1,3-benzodioxole |
| UNII (FDA) | 2ML63PLH7G |
| Molecular Weight | 164.20 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 164.083729621 |
| Monoisotopic Mass | 164.083729621 |
| Topological Polar Surface Area | 18.5 |
| Heavy Atom Count | 12 |
| Boiling Point | 228 °C |
|---|---|
| Density | 1.065 at 25 °C/25 °C |
| Vapor Pressure | 0.05 [mmHg] |
Dihydrosafrole; 5-Propyl-1,3-benzodioxole; 94-58-6; Safrole, dihydro-; 1,3-Benzodioxole, 5-propyl-; 2',3'-Dihydrosafrole; 1,2-(METHYLENEDIOXY)-4-PROPYLBENZENE; 4-Propyl-1,2-methylenedioxybenzene; 2ML63PLH7G; Benzene, 1,2-methylenedioxy-4-propyl-; NSC-27867; DTXSID7020475; RefChem:133927; DTXCID30475; 202-344-9; Dihydrosafrol
| Regulatory & Food Contact | CIR / INCI: Cosmetics ingredient -> Fragrance |
|---|---|
| GHS notification summary | 63.4% (92 / 145) |
| GHS notification summary | 63.4% (92 / 145) |
|---|---|
| Reported hazard statements | H351 (26.9%), H303, H371 |
This chemical does not meet GHS hazard criteria for 63.4% (92 of 145) of all reports.
H351 (26.9%): Suspected of causing cancer [Warning Carcinogenicity]
Dihydrosafrol · CAS 94-58-6 · C10H12O2. UNII 2ML63PLH7G. Boiling Point: 228 °C; Density: 1.065 at 25 °C/25 °C; Vapor Pressure: 0.05 [mmHg].
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Dihydrosafrol