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3949-36-8

3949-36-8 Structure

3949-36-8 Structure
IdentificationMore
[Name]

8-ACETYL DIMETHOXYCOUMARIN
[CAS]

3949-36-8
[Synonyms]

3-ACETYL-2H-CHROMEN-2-ONE
3-ACETYLCOUAMARIN
3-ACETYLCOUMARIN
8-ACETYL-6,7-DIMETHOXYCOUMARIN
8-ACETYL DIMETHOXYCOUMARIN
ACETYL-6,7-DIMETHOXYCOUMARIN, 8-
ACETYLCOUMARIN, 3-
RARECHEM AB KA K002
TIMTEC-BB SBB008168
2H-1-Benzopyran-2-one, 3-acetyl-
3-Acetylcoumarine
Coumarin, 3-acetyl-
3-acetylcoumarin,97%
3-ACETYLCOUMARIN 96%
3-Acetylcoumarin, 98+%
3-Acetyl-2H-1-benzopyran-2-one
[EINECS(EC#)]

223-541-6
[Molecular Formula]

C13H12O5
[MDL Number]

MFCD00270161
[Molecular Weight]

248.23
[MOL File]

3949-36-8.mol
Chemical PropertiesBack Directory
[Appearance]

YELLOW CRYSTALLINE POWDER
[Melting point ]

119-122 °C(lit.)
[Boiling point ]

263.17°C (rough estimate)
[density ]

1.2124 (rough estimate)
[refractive index ]

1.4260 (estimate)
[storage temp. ]

2-8°C
[form ]

powder to crystal
[color ]

White to Light yellow to Green
[λmax]

302nm(EtOH)(lit.)
[BRN ]

143498
[InChI]

1S/C11H8O3/c1-7(12)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-6H,1H3
[InChIKey]

CSPIFKKOBWYOEX-UHFFFAOYSA-N
[SMILES]

CC(=O)C1=Cc2ccccc2OC1=O
[LogP]

1.420 (est)
[CAS DataBase Reference]

3949-36-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29322090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

YELLOW CRYSTALLINE POWDER
[Uses]

3-Acetylcoumarin (Compound 4) has acaricidal activity against Tetranychus cinnabarinus[1].
[Definition]

ChEBI: 3-acetylcoumarin is a member of the class of coumarins that is coumarin in which the hydrogen at position 3 is replaced by an acetyl group.
[General Description]

FTIR and FT-Raman spectra of 3-acetylcoumarin has been reported. 3-Acetylcoumarin undergoes condensation with aryl aldehydes in chloroform in the presence of piperidine to yield coumarin derivatives containing 4-arylbut-3-en-2-one moiety.
[References]

[1] ZHANG Bingchuan, et al. Study on acaricidal bioactivity and quantitative structure activity relationship of coumarin compounds against Tetranychus cinnabarinus Bois. (Acari: Tetranychidae)[J]. Chinese Journal of Pesticide Science, 2016, 18(1): 37-48.
Spectrum DetailBack Directory
[Spectrum Detail]

8-ACETYL DIMETHOXYCOUMARIN(3949-36-8)MS
8-ACETYL DIMETHOXYCOUMARIN(3949-36-8)1HNMR
8-ACETYL DIMETHOXYCOUMARIN(3949-36-8)13CNMR
8-ACETYL DIMETHOXYCOUMARIN(3949-36-8)IR1
8-ACETYL DIMETHOXYCOUMARIN(3949-36-8)IR2
8-ACETYL DIMETHOXYCOUMARIN(3949-36-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Acetylcoumarin, 96%(3949-36-8)
[Alfa Aesar]

3-Acetylcoumarin, 98+%(3949-36-8)
[Sigma Aldrich]

3949-36-8(sigmaaldrich)
[TCI AMERICA]

3-Acetylcoumarin,>98.0%(GC)(3949-36-8)
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