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7-Ethoxy-4-methylcoumarin

Name: 7-Ethoxy-4-methylcoumarin
Brand: 2A Biotech
SKU: 2A-9006953

CAS Number87-05-8

SynonymsMaraniol; 7-ethoxy-4-methylchromen-2-one; 7-Ethoxy-4-methyl-2H-chromen-2-one; EINECS 201-721-5; MFCD00016971

Molecular FormulaC12H12O3

Molecular Weight204.228

Purity90%

Density1.2±0.1 g/cm3

Boiling Point351.4±37.0 °C at 760 mmHg

Melting Point114-116 °C(lit.)

AppearanceSolid;White to Gray powder to crystal

MSDSChinese English

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Cat. No.: 2A-9006953 Purity: 90%

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Quality Control of [ 87-05-8 ] Purity: 90% SDS Specification MoL

Chemical & Physical Properties
CAS Number	87-05-8
Catalog No.	2A-9006953
Chinese Name	7-乙氧基-4-甲基香豆素
Synonyms	Maraniol; 7-ethoxy-4-methylchromen-2-one; 7-Ethoxy-4-methyl-2H-chromen-2-one; EINECS 201-721-5; MFCD00016971
Molecular Formula	C12H12O3
Molecular Weight	204.228
Purity	90
Density	1.2±0.1 g/cm3
Boiling Point	351.4±37.0 °C at 760 mmHg
Melting Point	114-116 °C(lit.)
Appearance	Solid;White to Gray powder to crystal
Water Solubility	DMF: soluble
Storage Condition	avoid light
Application	7-Ethoxy-4-methylcoumarin is a coumarin derivative that can be used as a substrate probe for mammalian cytochrome P450 1A1, 2B4 and 2B6 [1][2].
HTC	2932209090
MDL Number	MFCD00016971
SMILES	CCOc1ccc2c(C)cc(=O)oc2c1
InChI	InChI=1S/C12H12O3/c1-3-14-9-4-5-10-8(2)6-12(13)15-11(10)7-9/h4-7H,3H2,1-2H3
InChI Key	NKRISXMDKXBVRJ-UHFFFAOYSA-N
Hazard Symbols	Transport
Bioactivity	7-Ethoxy-4-methylcoumarin is a coumarin derivative and can be used as a substrate probe of mammalian cytochromes P450 1A1, 2B4 and 2B6[1][2]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 Research Areas >> Others Target CYP1A1 CYP2B6 CYP2B4 References [1]. Kuhn UD, et al. Induction of cytochrome P450 1A1 in rat liver slices by 7-ethoxycoumarin and 4-methyl-7-ethoxycoumarin. Exp Toxicol Pathol. 1998 Sep;50(4-6):491-6. [2]. Liu J, et al. Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations. Biochemistry. 2016 Apr 5;55(13):1997-2007. Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 351.4±37.0 °C at 760 mmHg Melting Point 114-116 °C(lit.) Molecular Formula C12H12O3 Molecular Weight 204.222 Flash Point 146.2±21.1 °C Exact Mass 204.078644 PSA 39.44000 LogP 2.90 Vapour Pressure 0.0±0.8 mmHg at 25°C Index of Refraction 1.548 InChIKey NKRISXMDKXBVRJ-UHFFFAOYSA-N SMILES CCOc1ccc2c(C)cc(=O)oc2c1 Water Solubility DMF: soluble
Use of	7-Ethoxy-4-methylcoumarin is a coumarin derivative and can be used as a substrate probe of mammalian cytochromes P450 1A1, 2B4 and 2B6[1][2]. Properties Name 7-Ethoxy-4-methylcoumarin Synonym More Synonyms Maraniol Biological Activity Description 7-Ethoxy-4-methylcoumarin is a coumarin derivative and can be used as a substrate probe of mammalian cytochromes P450 1A1, 2B4 and 2B6[1][2]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 Research Areas >> Others References [1]. Kuhn UD, et al. Induction of cytochrome P450 1A1 in rat liver slices by 7-ethoxycoumarin and 4-methyl-7-ethoxycoumarin. Exp Toxicol Pathol. 1998 Sep;50(4-6):491-6. [2]. Liu J, et al. Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations. Biochemistry. 2016 Apr 5;55(13):1997-2007. Chemical & Physical Properties Molecular Formula C12H12O3 Exact Mass 204.078644 PSA 39.44000 Index of Refraction 1.548 InChIKey NKRISXMDKXBVRJ-UHFFFAOYSA-N Water Solubility DMF: soluble
Tax Rebate	13.0%
Supervision	None. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport Info	Product name: Purity: 95.0%
MSDS Transport Info	Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available

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7-Ethoxy-4-methylcoumarin

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