Home Other Building Blocks Methylhexahydroisobenzofuran-1,3-dione

Methylhexahydroisobenzofuran-1,3-dione

CAS No.:
25550-51-0
Catalog Number:
AG00359I
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$19
- +
25g
95%
In Stock USA
United States
$50
- +
100g
95%
In Stock USA
United States
$125
- +
500g
95%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG00359I
Chemical Name:
Methylhexahydroisobenzofuran-1,3-dione
CAS Number:
25550-51-0
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
MDL Number:
MFCD00005927
IUPAC Name:
7a-methyl-4,5,6,7-tetrahydro-3aH-2-benzofuran-1,3-dione
InChI:
InChI=1S/C9H12O3/c1-9-5-3-2-4-6(9)7(10)12-8(9)11/h6H,2-5H2,1H3
InChI Key:
VYKXQOYUCMREIS-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2(C1CCCC2)C
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Methylhexahydrophthalic anhydride adducted albumin tryptic peptides in nasal lavage fluid. Inhalation toxicology 20091001
Occupational contact urticaria caused by cyclic acid anhydrides. Contact dermatitis 20090401
Association of HLA-DQ5 and HLA-DR1 with sensitization to organic acid anhydrides. Clinical and experimental allergy : journal of the British Society for Allergy and Clinical Immunology 20040501
Exposure to methylhexahydrophthalic anhydride (MHHPA) in two workplaces of the electric industry. Journal of environmental monitoring : JEM 20040401
Exposure-response relationships for hexahydrophthalic and methylhexahydrophthalic anhydrides with total plasma protein adducts as biomarkers. Scandinavian journal of work, environment & health 20030801
A cross-sectional survey of 32 workers exposed to hexahydrophthalic and methylhexahydrophthalic anhydrides. Industrial health 20020101
Occupational dermatitis from a one-component naphthalene type epoxy adhesive. Industrial health 20020101
Exposure to hexahydrophthalic and methylhexahydrophthalic anhydrides--dose-response for sensitization and airway effects. Scandinavian journal of work, environment & health 20011001
Occupational contact urticaria caused by airborne methylhexahydrophthalic anhydride. Industrial health 20011001
Total plasma protein adducts of allergenic hexahydrophthalic and methylhexahydrophthalic anhydrides as biomarkers of long-term exposure. Scandinavian journal of work, environment & health 20010401
Immunologic tests of specific antibodies to organic acid anhydrides. Allergy 19911101
Properties