CAS Registry Number®
6066-49-5
CAS Name
Butylphthalide
Molecular Formula
C12H14O2
Molecular Mass
190.24
Compound Properties
-
Boiling Point (1)
138-139 °C @ Press: 6 Torr
Source(s)
- (1) Mitsuhashi, Hiroshi; Chemical & Pharmaceutical Bulletin, (1960), 8, 243-5, CAplus
Other Names and Identifiers
InChI
InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3
InChIKey
InChIKey=HJXMNVQARNZTEE-UHFFFAOYSA-N
SMILES
C(CCC)C1C=2C(C(=O)O1)=CC=CC2
Canonical SMILES
O=C1OC(C=2C=CC=CC12)CCCC
Other Names for this Substance
- 1(3H)-Isobenzofuranone, 3-butyl-
- Phthalide, 3-butyl-
- 3-Butyl-1(3H)-isobenzofuranone
- Butylphthalide
- 3-n-Butylphthalide
- 3-Butylphthalide
- (±)-3-Butylphthalide
- 3-Butyl-1,3-dihydro-2-benzofuran-1-one
- 3-Butyl-3H-2-benzofuran-1-one
- L-3-N-Butylphthalide
- L-NBP
Deleted or Replaced CAS Registry Numbers
93133-67-6
