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4-叔丁基-2,6-二甲基-3,5-二硝基苯乙酮

CAS 81-14-1C14H18N2O5MW 294.30

4-叔丁基-2,6-二甲基-3,5-二硝基苯乙酮(CAS 81-14-1):分子式 C14H18N2O5、分子量 294.30。

产品概览

CAS号81-14-1
分子式C14H18N2O5
分子量294.30
熔点274.1 to 277.7 °F (NTP, 1992)
LogPlog Kow = 4.30
应用领域Uses: Musk ketone is widely used as a fixative in blossom and fantasy compositions.、Fragrance、Use Classification: Fragrance Ingredients、Cosmetics -> Masking、Industry Uses: Fragrance、Consumer Uses: Fragrance、Household Products: Information on 9 consumer products that contain Musk ketone in the following categories is provided:、• Auto Products、• Commercial、Institutional、• Inside the Home、• Personal Care、• Pet Care、Methods of Manufacturing: Musk ketone is prepared by Friedel-Crafts acetylation of 1、3-dimethyl-5-tert-butylbenzene、and nitration of the resulting 2、6-dimethyl-4-tert-butylacetophenone with nitric acid.、IFRA Fragrance Standards: Musk ketone、1-(4-tert-Butyl-2、6-dimethyl-3、5-dinitrophenyl) ethanone、4'-tert-butyl-2'、6'-dimethyl-3'、5'-dinitroacetophenone、3、5-Dinitro-2、6-dimethyl-4-tert-butylacetophenone、1-[4-(1、1-Dimethylethyl)-2、5-dinitrophenyl]ethanone、Ethanone、1-dimethylethyl)-2、5-dinitrophenyl]-、IFRA_STD_189.pdf、45、IFRA 51st Amendment - Guidance for the use of IFRA Standards、Specification: This material should be used only if it meets the criteria stated in the Standard、SEE FRAGRANCE INGREDIENT SPECIFICATION、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.、Musk xylene (CAS number 81-15-2)、which has been prohibited for use in fragrance compounds for environmental reasons (vPvB)、can be present in Musk ketone as an impurity.、Musk ketone should only be used if it contains less than 0.1% of Musk xylene.、Consumption Patterns: Use in fragrances in the USA amounts to approximately 50、000 lb、yr.、Usual concentration in final product (%): soap 0.03 (0.15 maximum)、detergent 0.003 (0.015 maximum)、creams、lotions 0.01 (0.05 maximum)、perfume 0.2 (0.5 maximum)、U.S. Production: 2023: 68、143 lb、2022: 53、263 lb、2021: 42、174 lb、2020: 50、983 lb、Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#7335]、[US EPA、Non-confidential Production Volume Information Submitted by Companies for Chemicals Under the 1986-2002 Inventory Update Rule (IUR). Ethanone、1-、Non-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Ethanone、5-dinitrophenyl]-:、Table: National Aggregate Production Volume (pounds) [Table#7336]、[USEPA、2016 Chemical Data Reporting Database. Ethanone、General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing、5-dinitrophenyl]-: ACTIVE、Of the few aromatic、nitrogen-containing fragrance substances、the nitro musk material musk ketone is still important commercially as an inexpensive and tenacious musk fragrance. The other artificial nitro musks、musk ambrette and musk xylene、have lost their significance on account of their toxicological and ecotoxicological properties.、In public use since the 1900s.、The Council of Europe (1974) included musk ketone in the list of artificial flavoring substances that may be temporarily added to foodstuffs without hazard to public health.

应用领域

登记用途:Uses: Musk ketone is widely used as a fixative in blossom and fantasy compositions.、Fragrance、Use Classification: Fragrance Ingredients、Cosmetics -> Masking、Industry Uses: Fragrance、Consumer Uses: Fragrance、Household Products: Information on 9 consumer products that contain Musk ketone in the following categories is provided:、• Auto Products、• Commercial、Institutional、• Inside the Home、• Personal Care、• Pet Care、Methods of Manufacturing: Musk ketone is prepared by Friedel-Crafts acetylation of 1、3-dimethyl-5-tert-butylbenzene、and nitration of the resulting 2、6-dimethyl-4-tert-butylacetophenone with nitric acid.、IFRA Fragrance Standards: Musk ketone、1-(4-tert-Butyl-2、6-dimethyl-3、5-dinitrophenyl) ethanone、4'-tert-butyl-2'、6'-dimethyl-3'、5'-dinitroacetophenone、3、5-Dinitro-2、6-dimethyl-4-tert-butylacetophenone、1-[4-(1、1-Dimethylethyl)-2、5-dinitrophenyl]ethanone、Ethanone、1-dimethylethyl)-2、5-dinitrophenyl]-、IFRA_STD_189.pdf、45、IFRA 51st Amendment - Guidance for the use of IFRA Standards、Specification: This material should be used only if it meets the criteria stated in the Standard、SEE FRAGRANCE INGREDIENT SPECIFICATION、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.、Musk xylene (CAS number 81-15-2)、which has been prohibited for use in fragrance compounds for environmental reasons (vPvB)、can be present in Musk ketone as an impurity.、Musk ketone should only be used if it contains less than 0.1% of Musk xylene.、Consumption Patterns: Use in fragrances in the USA amounts to approximately 50、000 lb、yr.、Usual concentration in final product (%): soap 0.03 (0.15 maximum)、detergent 0.003 (0.015 maximum)、creams、lotions 0.01 (0.05 maximum)、perfume 0.2 (0.5 maximum)、U.S. Production: 2023: 68、143 lb、2022: 53、263 lb、2021: 42、174 lb、2020: 50、983 lb、Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#7335]、[US EPA、Non-confidential Production Volume Information Submitted by Companies for Chemicals Under the 1986-2002 Inventory Update Rule (IUR). Ethanone、1-、Non-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Ethanone、5-dinitrophenyl]-:、Table: National Aggregate Production Volume (pounds) [Table#7336]、[USEPA、2016 Chemical Data Reporting Database. Ethanone、General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing、5-dinitrophenyl]-: ACTIVE、Of the few aromatic、nitrogen-containing fragrance substances、the nitro musk material musk ketone is still important commercially as an inexpensive and tenacious musk fragrance. The other artificial nitro musks、musk ambrette and musk xylene、have lost their significance on account of their toxicological and ecotoxicological properties.、In public use since the 1900s.、The Council of Europe (1974) included musk ketone in the list of artificial flavoring substances that may be temporarily added to foodstuffs without hazard to public health.。

技术档案

这个产品是什么

4-叔丁基-2,6-二甲基-3,5-二硝基苯乙酮 是一种化工化合物,登记 CAS 号为 81-14-1,分子式 C14H18N2O5(分子量 294.30)。

识别信息

登记 CAS 号:81-14-1

其分子式 C14H18N2O5 由 14 个碳、18 个氢、2 个氮、5 个氧 组成。

别名/同义词:4-叔丁基-2,6-二甲基-3,5-二硝基苯乙酮 · 4-tert-butyl-2,6-dimethyl-3,5-dinitroacetophenone

常见问题

4-叔丁基-2,6-二甲基-3,5-二硝基苯乙酮 的 CAS 号是多少?

4-叔丁基-2,6-二甲基-3,5-二硝基苯乙酮 的 CAS 登记号为 81-14-1。

4-叔丁基-2,6-二甲基-3,5-二硝基苯乙酮 的分子式与分子量是多少?

分子式 C14H18N2O5,分子量 294.30。

4-叔丁基-2,6-二甲基-3,5-二硝基苯乙酮 还有哪些别名?

别名/同义词:4-叔丁基-2,6-二甲基-3,5-二硝基苯乙酮、4-tert-butyl-2,6-dimethyl-3,5-dinitroacetophenone。

4-叔丁基-2,6-二甲基-3,5-二硝基苯乙酮 的登记用途是什么?

登记用途:Uses: Musk ketone is widely used as a fixative in blossom and fantasy compositions.、Fragrance、Use Classification: Fragrance Ingredients、Cosmetics -> Masking、Industry Uses: Fragrance、Consumer Uses: Fragrance、Household Products: Information on 9 consumer products that contain Musk ketone in the following categories is provided:、• Auto Products、• Commercial、Institutional、• Inside the Home、• Personal Care、• Pet Care、Methods of Manufacturing: Musk ketone is prepared by Friedel-Crafts acetylation of 1、3-dimethyl-5-tert-butylbenzene、and nitration of the resulting 2、6-dimethyl-4-tert-butylacetophenone with nitric acid.、IFRA Fragrance Standards: Musk ketone、1-(4-tert-Butyl-2、6-dimethyl-3、5-dinitrophenyl) ethanone、4'-tert-butyl-2'、6'-dimethyl-3'、5'-dinitroacetophenone、3、5-Dinitro-2、6-dimethyl-4-tert-butylacetophenone、1-[4-(1、1-Dimethylethyl)-2、5-dinitrophenyl]ethanone、Ethanone、1-dimethylethyl)-2、5-dinitrophenyl]-、IFRA_STD_189.pdf、45、IFRA 51st Amendment - Guidance for the use of IFRA Standards、Specification: This material should be used only if it meets the criteria stated in the Standard、SEE FRAGRANCE INGREDIENT SPECIFICATION、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.、Musk xylene (CAS number 81-15-2)、which has been prohibited for use in fragrance compounds for environmental reasons (vPvB)、can be present in Musk ketone as an impurity.、Musk ketone should only be used if it contains less than 0.1% of Musk xylene.、Consumption Patterns: Use in fragrances in the USA amounts to approximately 50、000 lb、yr.、Usual concentration in final product (%): soap 0.03 (0.15 maximum)、detergent 0.003 (0.015 maximum)、creams、lotions 0.01 (0.05 maximum)、perfume 0.2 (0.5 maximum)、U.S. Production: 2023: 68、143 lb、2022: 53、263 lb、2021: 42、174 lb、2020: 50、983 lb、Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#7335]、[US EPA、Non-confidential Production Volume Information Submitted by Companies for Chemicals Under the 1986-2002 Inventory Update Rule (IUR). Ethanone、1-、Non-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Ethanone、5-dinitrophenyl]-:、Table: National Aggregate Production Volume (pounds) [Table#7336]、[USEPA、2016 Chemical Data Reporting Database. Ethanone、General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing、5-dinitrophenyl]-: ACTIVE、Of the few aromatic、nitrogen-containing fragrance substances、the nitro musk material musk ketone is still important commercially as an inexpensive and tenacious musk fragrance. The other artificial nitro musks、musk ambrette and musk xylene、have lost their significance on account of their toxicological and ecotoxicological properties.、In public use since the 1900s.、The Council of Europe (1974) included musk ketone in the list of artificial flavoring substances that may be temporarily added to foodstuffs without hazard to public health.。

PubChem 公开数据

4-叔丁基-2,6-二甲基-3,5-二硝基苯乙酮(CAS 81-14-1)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 Registry Number81-14-1
PubChem CID6669
Molecular formulaC14H18N2O5
IUPAC name1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone
UNII (FDA)483V3E1L6J

计算分子描述符

Molecular Weight294.30
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass294.12157168
Monoisotopic Mass294.12157168
Topological Polar Surface Area109
Heavy Atom Count21

在册的理化数值

Melting Point274.1 to 277.7 °F (NTP, 1992)
Melting Point135.5 °C
Melting Point135.5 - 136 °C
Flash Point>168 °C (>334 °F) - closed cup
SolubilityIn water, 0.46 mg/L at 25 °C
Solubility0.00046 mg/mL
Vapor Pressure3.00X10-7 mm Hg at 25 °C
LogPlog Kow = 4.30
LogP4.30

在册的记载用途

    Musk ketone is widely used as a fixative in blossom and fantasy compositions.Information on 9 consumer products that contain Musk ketone in the following categories is provided:

    同义词与商品名

    MUSK KETONE; 81-14-1; 4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone; 2-Acetyl-5-tert-butyl-4,6-dinitroxylene; DTXSID6025690; Acetophenone, 4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro-; 3,5-Dinitro-2,6-dimethyl-4-tert-butylacetophenone; 4-tert-Butyl-3,5-dinitro-2,6-dimethylacetophenone; 2,6-Dinitro-3,5-dimethyl-4-acetyl-tert-butylbenzene; 2,6-Dimethyl-3,5-dinitro-4-t-butylacetophenone; 4-tert-Butyl-2,6-dimethyl-3,5-dinitroacetophenone; 483V3E1L6J; 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one; NSC-15339; 1-(4-(1,1-Dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl)ethanone; Ethanone, 1-(4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl)-

    已收录的法规名录

    Regulatory & Food ContactFDA Substance added to food: FLAVORING AGENT OR ADJUVANT
    MUSK, KETONE

    GHS 危害分类

    Reported hazard statementsH351, H400, H410, H336, H361

    H351: Suspected of causing cancer [Warning Carcinogenicity]

    H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

    公开数据库对它的描述

    4-tert-butyl-2,6-dimethyl-3,5-dinitroacetophenone · CAS 81-14-1 · C14H18N2O5. UNII 483V3E1L6J. Melting Point: 274.1 to 277.7 °F (NTP, 1992); Melting Point: 135.5 °C; Melting Point: 135.5 - 136 °C.

    物理形态与操作说明

    数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。

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