α-细辛脑(CAS 2883-98-9):分子式 C12H16O3、分子量 208.25。
| CAS号 | 2883-98-9 |
|---|---|
| 分子式 | C12H16O3 |
| 分子量 | 208.25 |
| 熔点 | 62-63 °C |
| 沸点 | 296 °C @ 760 MM HG |
| LogP | 2.44 |
| 应用领域 | Uses: Found in calamus oil from roots of Acorus calamus L.、Used as a grain fumigant and insect chemosterilant、Calamus oil is used in perfumes and alcoholic beverages、but use is limited by potential toxicity of beta-asarone、[HSDB] Asarones occur in nature as a mixture of two isomers alpha (trans) and beta (cis)、[Merck Index]、Farming (Pesticides) [Category: Industry]、Grain fumigant、insect chemisterilant、isomer not specified、Essential oil ... Calamus oil is used in perfumery for spicy-herbaceous notes: small quantities are also employed in the alcoholic beverage industry. However、use is legally restricted because of the potential toxicity of beta-asarone.、cis-asarone、Tranquilizer ... chemisterilant for insects、asarone、i.e. 2、4、5-trimethoxy-1-propenylbenzene)、Methods of Manufacturing: SESHADRI、THIRUVENGADAM、PROC INDIAN ACAD SCI 32A、110 (1950)、SHARMA、DANDIYA、INDIAN J APPL CHEM 32、236 (1969).、Either extracted from calamus oil or synthesized (Wittig reaction).、Calamus oil is obtained by steam distillation of fresh or unpeeled、dried roots of Acorus calamus L. (Araceae) ... The plant occurs in polyploid varieties and the corresponding essential oils differ predominantly in their content of beta-asarone (cis-isoasarone、5273-86-9)、IFRA Fragrance Standards: cis-and trans-Asarone、494-40-6:、Benzene、1、2、4-trimethoxy-5-(1-propen-1-yl)- (unspecified isomer)、(E)-and (Z)-2、5-Trimethoxypropen-1-yl benzene)、2883-98-9:、α-Asarone、trans-Asarone、4-trimethoxy-5-(1-propenyl)-、(E)-、trans-Isoasarone、5273-86-9:、Ã-Asarone、cis-Ã-Asarone、(Z)-、cis-Isoasarone、IFRA_STD_110.pdf、40、IFRA 51st Amendment - Guidance for the use of IFRA Standards、Prohibition: This material should not be used as a fragrance ingredient_Restriction: This material should be used only in the limited quantity as stated in the Standard、CARCINOGENICITY、Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6、materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards.、cis- and trans-Asarone as such should not be used as fragrance ingredients.、The natural extracts containing cis- and trans-Asarone should not be used as substitutes for this substance.、On the basis of established maximum concentration levels of this substance in commercially available natural sources (like essential oils、extracts and absolutes)、exposure to this substance from the use of these oils and extracts (e.g. Calamus oils) is regarded acceptable as long as the level of cis- and trans-Asarone in the finished consumer product does not exceed 100ppm (0.01).、General Manufacturing Information: UV irridiation of trans-isoasarone formed cis-isoasarone & asaronaldehyde. The isomerization rate decreased the concentration from 0.5 to 0.1% in methanol. Solvent affected the reaction、with the concentrations of cis-asarone & asaronaldehyde after 5 hr being: hexane 58.5 & 3.6、ethanol 55.4 & 2.5、methanol 40.0 & 2.7、acetone 50.9 & 7.3 & benzene 5.0 & nil. The tincture contains chlorogenic acid which retarded isomerization in vitro. No isomerization was found in irradiated tinctures (brown glass bottles) or tablets of the root.、Indian Acorus calamus from the Jammu area is tetraploid and yields an oil containing approximately 75% beta-asarone、Acorus calamus from Kashmir is hexaploid and yields an oil containing approximately 5% beta-asarone (Vashist & Handa、1964). |
登记用途:Uses: Found in calamus oil from roots of Acorus calamus L.、Used as a grain fumigant and insect chemosterilant、Calamus oil is used in perfumes and alcoholic beverages、but use is limited by potential toxicity of beta-asarone、[HSDB] Asarones occur in nature as a mixture of two isomers alpha (trans) and beta (cis)、[Merck Index]、Farming (Pesticides) [Category: Industry]、Grain fumigant、insect chemisterilant、isomer not specified、Essential oil ... Calamus oil is used in perfumery for spicy-herbaceous notes: small quantities are also employed in the alcoholic beverage industry. However、use is legally restricted because of the potential toxicity of beta-asarone.、cis-asarone、Tranquilizer ... chemisterilant for insects、asarone、i.e. 2、4、5-trimethoxy-1-propenylbenzene)、Methods of Manufacturing: SESHADRI、THIRUVENGADAM、PROC INDIAN ACAD SCI 32A、110 (1950)、SHARMA、DANDIYA、INDIAN J APPL CHEM 32、236 (1969).、Either extracted from calamus oil or synthesized (Wittig reaction).、Calamus oil is obtained by steam distillation of fresh or unpeeled、dried roots of Acorus calamus L. (Araceae) ... The plant occurs in polyploid varieties and the corresponding essential oils differ predominantly in their content of beta-asarone (cis-isoasarone、5273-86-9)、IFRA Fragrance Standards: cis-and trans-Asarone、494-40-6:、Benzene、1、2、4-trimethoxy-5-(1-propen-1-yl)- (unspecified isomer)、(E)-and (Z)-2、5-Trimethoxypropen-1-yl benzene)、2883-98-9:、α-Asarone、trans-Asarone、4-trimethoxy-5-(1-propenyl)-、(E)-、trans-Isoasarone、5273-86-9:、Ã-Asarone、cis-Ã-Asarone、(Z)-、cis-Isoasarone、IFRA_STD_110.pdf、40、IFRA 51st Amendment - Guidance for the use of IFRA Standards、Prohibition: This material should not be used as a fragrance ingredient_Restriction: This material should be used only in the limited quantity as stated in the Standard、CARCINOGENICITY、Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6、materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards.、cis- and trans-Asarone as such should not be used as fragrance ingredients.、The natural extracts containing cis- and trans-Asarone should not be used as substitutes for this substance.、On the basis of established maximum concentration levels of this substance in commercially available natural sources (like essential oils、extracts and absolutes)、exposure to this substance from the use of these oils and extracts (e.g. Calamus oils) is regarded acceptable as long as the level of cis- and trans-Asarone in the finished consumer product does not exceed 100ppm (0.01).、General Manufacturing Information: UV irridiation of trans-isoasarone formed cis-isoasarone & asaronaldehyde. The isomerization rate decreased the concentration from 0.5 to 0.1% in methanol. Solvent affected the reaction、with the concentrations of cis-asarone & asaronaldehyde after 5 hr being: hexane 58.5 & 3.6、ethanol 55.4 & 2.5、methanol 40.0 & 2.7、acetone 50.9 & 7.3 & benzene 5.0 & nil. The tincture contains chlorogenic acid which retarded isomerization in vitro. No isomerization was found in irradiated tinctures (brown glass bottles) or tablets of the root.、Indian Acorus calamus from the Jammu area is tetraploid and yields an oil containing approximately 75% beta-asarone、Acorus calamus from Kashmir is hexaploid and yields an oil containing approximately 5% beta-asarone (Vashist & Handa、1964).。
α-细辛脑 是一种化工化合物,登记 CAS 号为 2883-98-9,分子式 C12H16O3(分子量 208.25)。
登记 CAS 号:2883-98-9
其分子式 C12H16O3 由 12 个碳、16 个氢、3 个氧 组成。
别名/同义词:α-细辛脑 · alpha-Asarone
α-细辛脑 的 CAS 登记号为 2883-98-9。
分子式 C12H16O3,分子量 208.25。
别名/同义词:α-细辛脑、alpha-Asarone。
登记用途:Uses: Found in calamus oil from roots of Acorus calamus L.、Used as a grain fumigant and insect chemosterilant、Calamus oil is used in perfumes and alcoholic beverages、but use is limited by potential toxicity of beta-asarone、[HSDB] Asarones occur in nature as a mixture of two isomers alpha (trans) and beta (cis)、[Merck Index]、Farming (Pesticides) [Category: Industry]、Grain fumigant、insect chemisterilant、isomer not specified、Essential oil ... Calamus oil is used in perfumery for spicy-herbaceous notes: small quantities are also employed in the alcoholic beverage industry. However、use is legally restricted because of the potential toxicity of beta-asarone.、cis-asarone、Tranquilizer ... chemisterilant for insects、asarone、i.e. 2、4、5-trimethoxy-1-propenylbenzene)、Methods of Manufacturing: SESHADRI、THIRUVENGADAM、PROC INDIAN ACAD SCI 32A、110 (1950)、SHARMA、DANDIYA、INDIAN J APPL CHEM 32、236 (1969).、Either extracted from calamus oil or synthesized (Wittig reaction).、Calamus oil is obtained by steam distillation of fresh or unpeeled、dried roots of Acorus calamus L. (Araceae) ... The plant occurs in polyploid varieties and the corresponding essential oils differ predominantly in their content of beta-asarone (cis-isoasarone、5273-86-9)、IFRA Fragrance Standards: cis-and trans-Asarone、494-40-6:、Benzene、1、2、4-trimethoxy-5-(1-propen-1-yl)- (unspecified isomer)、(E)-and (Z)-2、5-Trimethoxypropen-1-yl benzene)、2883-98-9:、α-Asarone、trans-Asarone、4-trimethoxy-5-(1-propenyl)-、(E)-、trans-Isoasarone、5273-86-9:、Ã-Asarone、cis-Ã-Asarone、(Z)-、cis-Isoasarone、IFRA_STD_110.pdf、40、IFRA 51st Amendment - Guidance for the use of IFRA Standards、Prohibition: This material should not be used as a fragrance ingredient_Restriction: This material should be used only in the limited quantity as stated in the Standard、CARCINOGENICITY、Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6、materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards.、cis- and trans-Asarone as such should not be used as fragrance ingredients.、The natural extracts containing cis- and trans-Asarone should not be used as substitutes for this substance.、On the basis of established maximum concentration levels of this substance in commercially available natural sources (like essential oils、extracts and absolutes)、exposure to this substance from the use of these oils and extracts (e.g. Calamus oils) is regarded acceptable as long as the level of cis- and trans-Asarone in the finished consumer product does not exceed 100ppm (0.01).、General Manufacturing Information: UV irridiation of trans-isoasarone formed cis-isoasarone & asaronaldehyde. The isomerization rate decreased the concentration from 0.5 to 0.1% in methanol. Solvent affected the reaction、with the concentrations of cis-asarone & asaronaldehyde after 5 hr being: hexane 58.5 & 3.6、ethanol 55.4 & 2.5、methanol 40.0 & 2.7、acetone 50.9 & 7.3 & benzene 5.0 & nil. The tincture contains chlorogenic acid which retarded isomerization in vitro. No isomerization was found in irradiated tinctures (brown glass bottles) or tablets of the root.、Indian Acorus calamus from the Jammu area is tetraploid and yields an oil containing approximately 75% beta-asarone、Acorus calamus from Kashmir is hexaploid and yields an oil containing approximately 5% beta-asarone (Vashist & Handa、1964).。
α-细辛脑(CAS 2883-98-9)的独立参考数据,整理自公开化学数据库。
| CAS 号 | 2883-98-9 |
|---|---|
| PubChem CID | 636822 |
| 分子式 | C12H16O3 |
| IUPAC 名称 | 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene |
| UNII(FDA) | DQY9PNE5FK |
| Molecular Weight | 208.25 |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 208.109944368 |
| Monoisotopic Mass | 208.109944368 |
| Topological Polar Surface Area | 27.7 |
| Heavy Atom Count | 15 |
| Boiling Point | 296 °C @ 760 MM HG |
|---|---|
| Melting Point | 62-63 °C |
| Melting Point | 62 - 63 °C |
| Vapor Pressure | 0.0015 [mmHg] |
| LogP | 2.44 |
alpha-Asarone; 2883-98-9; Asarone; TRANS-ASARONE; Asaron; trans-Isoasaron; Asarum camphor; (E)-Asarone; Etherophenol; Asarabacca camphor; 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene; 2,4,5-Trimethoxy-1-propenylbenzene; 1,2,4-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzene; DQY9PNE5FK; benzene, 1,2,4-trimethoxy-5-(1E)-1-propen-1-yl-; Benzene, 1,2,4-trimethoxy-5-propenyl-, (E)-
| 已通报的危害声明 | H302 (91.5%) |
|---|
α-细辛脑 · CAS 2883-98-9 · C12H16O3. UNII DQY9PNE5FK. Boiling Point: 296 °C @ 760 MM HG; Melting Point: 62-63 °C; Melting Point: 62 - 63 °C.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: alpha-Asarone