ChemicalBook--->CAS DataBase List--->28808-62-0

28808-62-0

28808-62-0 Structure

28808-62-0 Structure
IdentificationBack Directory
[Name]

FRAXINELLONE
[CAS]

28808-62-0
[Synonyms]

Fraxinellone
FRAXINELLONE(RG)
Fraxinellone ,98%
tetrahydro-3a,7-dimethyl-,(3R,3aR)- (9CI)
1(3H)-Isobenzofuranone,3-(3-furanyl)-3a,4,5,6-
Fraxinellone, 98%, from Dictamnus dasycarpus Turcz.
3-(3-Furyl)-3a,4,5,6-tetrahydro-3a,7-dimethylphthalide
(3R,3aR)-3-(furan-3-yl)-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
(3R)-3β-(3-Furyl)-3a,4,5,6-tetrahydro-3aβ,7-dimethylisobenzofuran-1(3H)-one
(3R)-3β-(3-Furanyl)-3aβ,7-dimethyl-1,3,3a,4,5,6-hexahydroisobenzofuran-1-one
(3R,3aR)-3-(3-Furyl)-3a,7-diMethyl-3a,4,5,6-tetrahydro-2-benzofuran-1(3H)-one
1(3H)-Isobenzofuranone,3-(3-furanyl)-3a,4,5,6-tetrahydro-3a,7-diMethyl-,(3R-cis)
(3R,3aR)-3-(furan-3-yl)-3a,7-dimethyl-3a,4,5,6-tetrahydroisobenzofuran-1(3H)-one
1(3H)-Isobenzofuranone, 3-(3-furanyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-, (3R,3aR)-
[Molecular Formula]

C14H16O3
[MDL Number]

MFCD11101451
[MOL File]

28808-62-0.mol
[Molecular Weight]

232.277
Questions And AnswerBack Directory
[Description]

Fraxinellone is an insecticidal agent, inhibiting growth of larvae, used in the treatment and protection of crops and produce. Also, a naturally occurring compound used in the treatment of tumors.
Chemical PropertiesBack Directory
[Melting point ]

114.0 to 118.0 °C
[Boiling point ]

314.44°C (rough estimate)
[density ]

1.1649 (rough estimate)
[refractive index ]

1.5557 (estimate)
[storage temp. ]

Keep in dark place,Sealed in dry,Store in freezer, under -20°C
[solubility ]

Soluble in acetone and methan
[form ]

powder to crystal
[color ]

White to Almost white
[Major Application]

food and beverages
[InChI]

1S/C14H16O3/c1-9-4-3-6-14(2)11(9)13(15)17-12(14)10-5-7-16-8-10/h5,7-8,12H,3-4,6H2,1-2H3/t12-,14+/m0/s1
[InChIKey]

XYYAFLHHHZVPRN-GXTWGEPZSA-N
[SMILES]

CC1=C(C(O[C@H]2C3=COC=C3)=O)[C@@]2(C)CCC1
Safety DataBack Directory
[Safety Statements ]

24/25
[RIDADR ]

UN 2811 6.1/PG III
[WGK Germany ]

WGK 3
[RTECS ]

TI3767000
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29321900
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Repr. 2
Hazard InformationBack Directory
[Chemical Properties]

White crystalline powder, easily soluble in chloroform and ethyl acetate, derived from the bark of Dictamnus dichotoma, the bark of white willow (Salix alba L.).
[Uses]

Fraxinellone is an insecticidal agent, inhibiting growth of larvae, used in the treatment and protection of crops and produce. Also, a naturally occurring compound used in the treatment of tumors.
[Definition]

ChEBI: Fraxinellone is a member of 2-benzofurans.
Spectrum DetailBack Directory
[Spectrum Detail]

FRAXINELLONE(28808-62-0)MS
FRAXINELLONE(28808-62-0)1HNMR
FRAXINELLONE(28808-62-0)IR1
FRAXINELLONE(28808-62-0)IR2
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