sedanenolide
 
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IUPAC name :3-butyl-4,5-dihydro-3H-2-benzofuran-1-one
InChI :InChI=1/C12H16O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7,11H,2-4,6,8H2,1H3
InChIKey :ZPIKVDODKLJKIN-UHFFFAOYAR
SMILES :CCCCC1C2=C(C=CCC2)C(=O)O1
cas number :62006-39-7
molar refractivity :54.72 ± 0.4 cm3
parachor :442.8 ± 6.0 cm3
index of refraction :1.521 ± 0.03
surface tension :36.9 ± 5.0 dyne/cm
density :1.07 ± 0.1 g/cm3
polarizability :21.69 ± 0.5 10-24cm3
xlogp : 2.80
molecular weight : 192.2542400
formula :C12 H16 O2
 
 
export tariff code :unspecified
fda reg :unspecified
 
organoleptics :
properties :
Food Chemicals Codex Listed :No
boiling point : 367.00 to 368.00 °C. @ 760.00 mm Hg
logp : 2.48
safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 309.00  °F.  TCC  ( 153.89 °C. )
safety references :
EPI System :view
 
 
 3-butyl-4,5-dihydro-3H-2-benzofuran-1-one
chemidplus :062006397
EPA Substance Registry Services :62006-39-7
NLM Chemical Carcinogenesis Research Information System :62006-39-7
NLM Developmental and Reproductive Toxicity :62006-39-7
NLM Env. Mutagen Info. Center :62006-39-7
NLM GENetic TOXicology :62006-39-7
references :
 3-butyl-4,5-dihydro-3H-2-benzofuran-1-one
pubchem :751179
other :
synonyms :
(-)-3-butyl-4,5-dihydro-1(3H)-isobenzofuranone
3-N-butyl-4,5-dihydrophthalide
3-N-butyl-4,5-dihydrophthalide (S)-isomer
 sedanenolide
 senkyunolide
 senkyunolide A
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :
apium graveolens linn. seed
data pagecarrot seed oil @ 0.13%
data pageparsley leaf oil @ 2.29%



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