ChemicalBook--->CAS DataBase List--->531-59-9

531-59-9

531-59-9 Structure

531-59-9 Structure
IdentificationMore
[Name]

7-Methoxycoumarin
[CAS]

531-59-9
[Synonyms]

1,2,3,4-tetrahydro-7-methoxy-2-naphthalenamine
2-Amino-7-methoxytetralin
7-Methoxy-1,2,3,4-tetrahydro-2-naphthylamine
7-METHOXYCOUMARIN
AKOS 214-08
AYAPAMIN
AYAPANIN
HERNIARIN
METHYL UMBELLIFERYL ETHER
UMBELLIFERONE METHYL ESTER
2H-1-Benzopyran-2-one, 7-methoxy-
2H-1-Benzopyran-2-one,7-methoxy-
7-methoxy-2h-1-benzopyran-2-on
7-methoxy-2h-1-benzopyran-2-one
7-Methoxy-2H-chromen-2-one
7-Methoxy-chromen-2-one
7-methoxy-coumari
7-Methoxycumarin
7-Methyl ether derivative of Umbelliferone
Coumarin, 7-methoxy-
[EINECS(EC#)]

208-513-3
[Molecular Formula]

C10H8O3
[MDL Number]

MFCD00006876
[Molecular Weight]

176.17
[MOL File]

531-59-9.mol
Chemical PropertiesBack Directory
[Appearance]

beige to salmon-pinkish powder
[Melting point ]

117-121 °C(lit.)
[Boiling point ]

247.77°C (rough estimate)
[density ]

1.1795 (rough estimate)
[refractive index ]

1.4500 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMF: soluble
[form ]

Powder
[color ]

Beige to salmon-pinkish
[Odor]

at 100.00 %. balsam tonka sweet
[biological source]

synthetic
[Odor Type]

balsamic
[Water Solubility ]

MISCIBLE
[BRN ]

141728
[Major Application]

flavors and fragrances
[InChI]

1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
[InChIKey]

LIIALPBMIOVAHH-UHFFFAOYSA-N
[SMILES]

COc1ccc2C=CC(=O)Oc2c1
[LogP]

1.821 (est)
[CAS DataBase Reference]

531-59-9(CAS DataBase Reference)
[NIST Chemistry Reference]

2H-1-benzopyran-2-one, 7-methoxy-(531-59-9)
[EPA Substance Registry System]

531-59-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H303
[Precautionary statements ]

P270-P301+P312-P403-P501c
[Hazard Codes ]

Xi
[Risk Statements ]

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

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

2
[RTECS ]

DJ3100380
[F ]

8
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[HS Code ]

32129000
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Potassium carbonate-->Acetone-->Iodomethane-->7-Hydroxycoumarin
[Preparation Products]

(E)-N-hydroxy-4-methoxy-2-(biphenyl-4-yl)cinnamamide-->7-methoxy-3-phenyl-2H-chromen-2-one
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Methyl umbelliferyl ether(531-59-9).msds
Hazard InformationBack Directory
[Chemical Properties]

beige to salmon-pinkish powder
[Uses]

7-Methoxycoumarin is a compound biosynthesized in lavender that exhibits antimicrobial activity.
[Definition]

ChEBI: A member of the class of coumarins that is coumarin substituted by a methoxy group at position 7.
[Synthesis Reference(s)]

Tetrahedron, 62, p. 6918, 2006 DOI: 10.1016/j.tet.2006.04.080
[General Description]

7-Methoxycoumarin is one of the main volatile odorant found in key lime essential oil and tarragon leaves.
Spectrum DetailBack Directory
[Spectrum Detail]

7-Methoxycoumarin(531-59-9)MS
7-Methoxycoumarin(531-59-9)1HNMR
7-Methoxycoumarin(531-59-9)13CNMR
7-Methoxycoumarin(531-59-9)IR1
7-Methoxycoumarin(531-59-9)IR2
7-Methoxycoumarin(531-59-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

7-Methoxycoumarin, 98+%(531-59-9)
[Alfa Aesar]

7-Methoxycoumarin, 98+%(531-59-9)
[Sigma Aldrich]

531-59-9(sigmaaldrich)
[TCI AMERICA]

7-Methoxycoumarin,>98.0%(GC)(531-59-9)
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