alpha-Asarone (CAS 2883-98-9) — formula C12H16O3, molecular weight 208.25; category organic chemicals.
| CAS Number | 2883-98-9 |
|---|---|
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.25 |
| Melting Point | 62-63 °C |
| Boiling Point | 296 °C @ 760 MM HG |
| LogP | 2.44 |
| Applications | 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). |
| Category | Organic Chemicals |
Documented applications: 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)..
alpha-Asarone is a carbon-based organic compound with CAS registry number 2883-98-9 and molecular formula C12H16O3 (molecular weight 208.25), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2883-98-9
Its molecular formula C12H16O3 comprises 12 C, 16 H, 3 O atoms.
Also known as: alpha-Asarone · α-细辛脑
Category: organic chemicals
The CAS registry number of alpha-Asarone is 2883-98-9.
Molecular formula C12H16O3, molecular weight 208.25.
It is also registered under: alpha-Asarone, α-细辛脑.
Recorded applications: 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)..
Category: Organic Chemicals.
Independent reference data for alpha-Asarone (CAS 2883-98-9), compiled from public chemistry databases.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: α-细辛脑