Methylhexahydrophthalic anhydride
Properties
- Molecular formula
- C9H12O3
- Molar mass
- 168.19 g/mol
- Exact mass
- 168.0786 Da
- Density
- 1.15 g/mL
- Melting point
- −29 °C
- Boiling point
- 290 °C
- Flash point
- 145 °C
- logP
- 1.27Crippen estimate
- Polar surface area
- 43.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 0
Hazards
Danger
- H317 May cause an allergic skin reactionSensitization, Skin
- H318 Causes serious eye damageSerious eye damage/eye irritation
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaledSensitization, respiratory
Harmonised EU classification (CLP Annex VI), via PubChem.
Precautionary statements
P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P342+P316, P362+P364, P403, P501
Identifiers
CAS number
25550-51-0SMILES
CC12CCCCC1C(=O)OC2=OInChIKey
VYKXQOYUCMREIS-UHFFFAOYSA-NInChI
InChI=1S/C9H12O3/c1-9-5-3-2-4-6(9)7(10)12-8(9)11/h6H,2-5H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
39 names · show all
- 1,3-Isobenzofurandione, hexahydromethyl-
- 1,2-Cyclohexanedicarboxylic anhydride, methyl-
- Hexahydromethyl-1,3-isobenzofurandione
- Methylcyclohexane-1,2-dicarboxylic anhydride
- Methylhexahydrophthalic acid anhydride
- Hexahydromethylphthalic anhydride
- HN 5500
- Epiclon B 650
- Lekutherm hardener M
- HN 5500E
- B 650
- NH 8210
- Araldite HY 917J
- HN 5000
- T 6000B
- Rikacid me-HHPA
- Albidur HE 600
- HN 5500F
- H 678
- Lindride 56
- Lindride 52D
- Bakelite 868
- MHHPA
- NH 5500
- MT 700
- Epikure EP 868
- KFH 271
- EPH 868
- Aradur HY 1102
- Araldite HY 1102
- HY 1102
- XNH 6844
- XNH 6830M2
- Epikure 868
- HN 7000A
- ZY-S 811
- SHY 9690
- HJ 5500
- HR 2200R
Work with Methylhexahydrophthalic anhydride
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Methyltetrahydrophthalic anhydride26590-20-551 % similar
1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione595-30-249 % similar
1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione76-32-449 % similar
Methyl cyclopentanecarboxylate4630-80-236 % similar
cis-1,2-Cyclohexanedicarboxylic anhydride13149-00-335 % similar
(-)-trans-1,2-Cyclohexanedicarboxylic anhydride31982-85-135 % similar
trans-Cyclohexane-1,2-dicarboxylic anhydride71749-03-635 % similar
Hexahydrophthalic anhydride85-42-735 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds