1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)-3,5-dinitrophenyl]ethanone | CAS No. 81-14-1

Q: What are the main uses of 1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)-3,5-dinitrophenyl]ethanone (CAS: 81-14-1)?

This compound is primarily used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. Its nitroaromatic structure makes it valuable in the development of dyes, pesticides, and other specialty chemicals. It is also utilized in research for organic reactions involving electrophilic substitution and functional group modifications due to its reactivity and structural versatility.

Q: How should 1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)-3,5-dinitrophenyl]ethanone (CAS: 81-14-1) be stored?

Store 1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)-3,5-dinitrophenyl]ethanone (CAS: 81-14-1) in a sealed, airtight container in a cool (below 25°C), dry, and dark environment to prevent degradation. Avoid exposure to heat, moisture, and UV light. Maintain storage in a well-ventilated area, away from incompatible substances, to ensure stability and safety compliance.

1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)-3,5-dinitrophenyl]ethanone

Basic Information

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CAS Number

81-14-1

Molecular Formula

C14H18N2O5

Molecular Weight

294.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

134-137 °C

Boiling Point

436.08°C (rough estimate)

Density

1.2051 (rough estimate)

Solubility

Insoluble (<1 mg/ml at 68.0° F) (NTP, 1992)

Refractive Index

1.5110 (estimate)

Vapor Pressure

3.00X10-7 mm Hg at 25 °C

Odor

Sweet, very persistent, slightly animal musk odor

SMILES

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[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3

InChIKey

WXCMHFPAUCOJIG-UHFFFAOYSA-N

LogP

4.66630

Complexity

418

Safety Information

View Safety Information

Hazard Statement

H351 Suspected of causing cancer
Carcinogenicity

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Stability

Stable. Incompatible with strong oxidizing agents, strong acids, strong bases.

Synonyms & References

English

4-tert-butyl-2,6-dimethyl-3,5-dinitroacetophenone
4'-tert-butyl-2',6'-dimethyl-3',5'-dinitroacetophenone
1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone
Ketone Moschus
musk ketone
1-tert-butyl-3,5-dimethyl-2,6-dinitro-4-acetylbenzene
3,5-dinitro-2,6-dimethyl-4-t-butylacetophenone
3-METHYLCYCLOPENTADECANONE (D,L-MUSCONE)
4-acetyl-1-tert-butyl-3,5-dimethyl-2-nitro-6-aminobenzene
4'-tert-butyl-2',6'-dimethyl-3',5'
4-tert-butyl-3,5-dinitro-2,6-dimethyl-acetophenone
Acetyl-dinitro-butyl-xylene
Dinitro-tert-butylxylyl methyl ketone
Musk ketone1000µg
Synthetic Muscone
1-[4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]ethanone
2',6'-Dimethyl-3',5'-dinitro-4'-tert-butylacetophenone
Ketone musk
2-Acetyl-5-tert-butyl-4,6-dinitroxylene
4-tert-Butyl-3,5-dinitro-2,6-dimethylacetophenone
2,6-Dinitro-3,5-dimethyl-4-acetyl-tert-butylbenzene
Acetophenone, 4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro-
2,6-Dimethyl-3,5-dinitro-4-t-butylacetophenone
3,5-Dinitro-2,6-dimethyl-4-tert-butylacetophenone
Ethanone, 1-[4-(1,1
4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone
Musk ketone

MDL Number

MFCD00024271

FAQ

What is 1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)-3,5-dinitrophenyl]ethanone (CAS: 81-14-1)?

1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)-3,5-dinitrophenyl]ethanone (CAS: 81-14-1) is an organic compound with the molecular formula C15H16N2O6. It features a ketone group (C=O) attached to a substituted phenyl ring, which includes 3,5-dinitro, 2,6-dimethyl, and a 4-tert-butyl group. The compound is typically a yellow solid with low solubility in water and is known for its stability under standard conditions.

What are the main uses of 1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)-3,5-dinitrophenyl]ethanone (CAS: 81-14-1)?

This compound is primarily used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. Its nitroaromatic structure makes it valuable in the development of dyes, pesticides, and other specialty chemicals. It is also utilized in research for organic reactions involving electrophilic substitution and functional group modifications due to its reactivity and structural versatility.

Is 1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)-3,5-dinitrophenyl]ethanone (CAS: 81-14-1) safe?

1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)-3,5-dinitrophenyl]ethanone (CAS: 81-14-1) is considered hazardous. It may cause skin and respiratory irritation, and its nitro groups can pose health risks. Safety measures include wearing protective gloves, goggles, and ensuring proper ventilation. Handling should follow OSHA and EPA guidelines to minimize exposure and environmental impact.

How should 1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)-3,5-dinitrophenyl]ethanone (CAS: 81-14-1) be stored?

Store 1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)-3,5-dinitrophenyl]ethanone (CAS: 81-14-1) in a sealed, airtight container in a cool (below 25°C), dry, and dark environment to prevent degradation. Avoid exposure to heat, moisture, and UV light. Maintain storage in a well-ventilated area, away from incompatible substances, to ensure stability and safety compliance.

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1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)-3,5-dinitrophenyl]ethanone | CAS No. 81-14-1

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Melting Point

Boiling Point

Density

Solubility

Refractive Index

Vapor Pressure

Odor

Chemical Properties

SMILES

InChI

InChIKey

LogP

Complexity

Safety Information

Hazard Statement

Stability

Synonyms & References

English

MDL Number

FAQ

What is 1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)-3,5-dinitrophenyl]ethanone (CAS: 81-14-1)?

What are the main uses of 1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)-3,5-dinitrophenyl]ethanone (CAS: 81-14-1)?

Is 1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)-3,5-dinitrophenyl]ethanone (CAS: 81-14-1) safe?

How should 1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)-3,5-dinitrophenyl]ethanone (CAS: 81-14-1) be stored?

Related Compounds

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Supplier Information

Nanjing Shizhou Biological Co., Ltd.

HePeng （ ShangHai ） Biotechnology Co Ltd

Wafangdian Haihua Yaanday Fine Chemical Co., Ltd.

Jinan Jianfeng Chemical Industry Co., Ltd.

TianJinShiHuaKun Chemical Co Ltd

Wafang Dianjie Hainan International Trade Co., Ltd.

JuShengHuaXueYanJiuYuan

Shanghai Mofu Medicine Technology Co., Ltd.

Beijing Boao Tuoda Technology Co., Ltd.

Zhejiang Pharmaceutical & Health Products Import & Export Co., Ltd.

HuBeiXinGongLi Chemical Co Ltd

Sinochem Jiangsu Co., Ltd.

ShangHaiRongLiHuaXue Technology Co Ltd

SiChuanShengWeiKeJi Biotechnology Co Ltd

Nantong Zhonghe Chemical New Materials Co., Ltd.

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