2,3-dihydro-3,3-dimethyl-5-benzofurylethanesulphonate
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Product Description
Product
2,3-dihydro-3,3-dimethyl-5-benzofurylethanesulphonate
CAS
68505-69-1
Formula
C12H16O4S
Synonym
2,3-dihydro-3,3-dimethyl-5-benzofurylethanesulphonate; BENFURESATE; benfuresate (bsi,draft e-iso,(m) draft f-iso); BENFURESATE STANDARD; Cyperal; EINECS 270-925-4; Ethanesulfonic acid, 2,3-dihydro-3,3-dimethyl-5-benzofuranyl ester; Morlene; NC 20484; nc20484; UNII-5E3V59Y698; 2,3-Dihydro-3,3-dimethyl-5-benzofuranyl ethanesulphonate
Typical Product Specifications
Molecular weight
256.32
EINECS
270-925-4
SMILES
CCS(=O)(=O)Oc1ccc2c(c1)C(CO2)(C)C
InChI
QGQSRQPXXMTJCM-UHFFFAOYSA-N
InChIKey
1S/C12H16O4S/c1-4-17(13,14)16-9-5-6-11-10(7-9)12(2,3)8-15-11/h5-7H,4,8H2,1-3H3
Water solubility
261 mg/L
log P (octanol-water)
2.41
Atmospheric OH Rate Constant
1.12E-11 cm3/molecule-sec
Vapor Pressure
2.09E-05 mm Hg
Henry's Law Constant
2.70E-08 atm-m3/mole
Melting Point
30.1 ° C
Class
2,3-dihydro-3,3-dimethyl-5-benzofurylethanesulphonate
Product Description
Product
2,3-dihydro-3,3-dimethyl-5-benzofurylethanesulphonate
CAS
68505-69-1
Formula
C12H16O4S
Synonym
2,3-dihydro-3,3-dimethyl-5-benzofurylethanesulphonate; BENFURESATE; benfuresate (bsi,draft e-iso,(m) draft f-iso); BENFURESATE STANDARD; Cyperal; EINECS 270-925-4; Ethanesulfonic acid, 2,3-dihydro-3,3-dimethyl-5-benzofuranyl ester; Morlene; NC 20484; nc20484; UNII-5E3V59Y698; 2,3-Dihydro-3,3-dimethyl-5-benzofuranyl ethanesulphonate
Typical Product Specifications
Molecular weight
256.32
EINECS
270-925-4
SMILES
CCS(=O)(=O)Oc1ccc2c(c1)C(CO2)(C)C
InChI
QGQSRQPXXMTJCM-UHFFFAOYSA-N
InChIKey
1S/C12H16O4S/c1-4-17(13,14)16-9-5-6-11-10(7-9)12(2,3)8-15-11/h5-7H,4,8H2,1-3H3
Water solubility
261 mg/L
log P (octanol-water)
2.41
Atmospheric OH Rate Constant
1.12E-11 cm3/molecule-sec
Vapor Pressure
2.09E-05 mm Hg
Henry's Law Constant
2.70E-08 atm-m3/mole
Melting Point
30.1 ° C
Class
