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α-细辛脑

CAS 2883-98-9C12H16O3MW 208.25

α-细辛脑(CAS 2883-98-9):分子式 C12H16O3、分子量 208.25。

产品概览

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
LogP2.44
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:、ß-Asarone、cis-ß-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).

应用领域

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:、ß-Asarone、cis-ß-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).。

技术档案

这个产品是什么

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)。

识别信息

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

常见问题

α-细辛脑 的 CAS 号是多少?

α-细辛脑 的 CAS 登记号为 2883-98-9。

α-细辛脑 的分子式与分子量是多少?

分子式 C12H16O3,分子量 208.25。

α-细辛脑 还有哪些别名?

别名/同义词:α-细辛脑、alpha-Asarone。

α-细辛脑 的登记用途是什么?

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:、ß-Asarone、cis-ß-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).。

PubChem 公开数据

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。

各数据库的登记标识

CAS 号2883-98-9
PubChem CID636822
分子式C12H16O3
IUPAC 名称1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene
UNII(FDA)DQY9PNE5FK

计算分子描述符

Molecular Weight208.25
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass208.109944368
Monoisotopic Mass208.109944368
Topological Polar Surface Area27.7
Heavy Atom Count15

在册的理化数值

Boiling Point296 °C @ 760 MM HG
Melting Point62-63 °C
Melting Point62 - 63 °C
Vapor Pressure0.0015 [mmHg]
LogP2.44

同义词与商品名

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)-

GHS 危害分类

已通报的危害声明H302 (91.5%)

公开数据库对它的描述

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。

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