β-细辛醚（CAS 5273-86-9）：分子式 C12H16O3、分子量 208.25。
| CAS号 | 5273-86-9 |
|---|---|
| 分子式 | C12H16O3 |
| 分子量 | 208.25 |
| LogP | 3 |
| 应用领域 | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、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、4、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). |
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、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、4、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).。
β-细辛醚 是一种化工化合物，登记 CAS 号为 5273-86-9，分子式 C12H16O3（分子量 208.25）。
登记 CAS 号：5273-86-9
其分子式 C12H16O3 由 12 个碳、16 个氢、3 个氧 组成。
别名/同义词：β-细辛醚 · BETA-ASARONE
β-细辛醚 的 CAS 登记号为 5273-86-9。
分子式 C12H16O3，分子量 208.25。
别名/同义词：β-细辛醚、BETA-ASARONE。
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、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、4、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).。
β-细辛醚（CAS 5273-86-9）的独立参考数据，整理自公开化学数据库。
| CAS 号 | 5273-86-9 |
|---|---|
| PubChem CID | 5281758 |
| 分子式 | C12H16O3 |
| IUPAC 名称 | 1,2,4-trimethoxy-5-[(Z)-prop-1-enyl]benzene |
| UNII（FDA） | IGA3MH6IUW |
| 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 |
beta-Asarone; 5273-86-9; (Z)-Asarone; cis-Isoelemicin; cis-Asarone; cis-Isoasarone; IGA3MH6IUW; 1,2,4-trimethoxy-5-[(Z)-prop-1-enyl]benzene; (Z)-5-Propenyl-1,2,4-trimethoxybenzene; cis-beta-Asarone; 2,4,5-Trimethoxypropen-1-ylbenzene; (Z)-1,2,4-Trimethoxy-5-(1-propenyl)benzene; Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (Z)-; BENZENE, 1,2,4-TRIMETHOXY-5-PROPENYL-, (Z)-; 1,2,4-trimethoxy-5-propenylbenzene, z-; CHEBI:10353
| 法规与食品接触 | FLAVOURING_AGENT: Flavouring Agent NO ADI ALLOCATED TRS 669-JECFA 25/21 FAS 16-JECFA 25/33 |
|---|
| 已通报的危害声明 | H302 (100%), H412 (61.3%) |
|---|
β-细辛醚 · CAS 5273-86-9 · C12H16O3. UNII IGA3MH6IUW.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: BETA-ASARONE