Isophorone
ALDRICH/W355305 - ≥97%, FG
Synonym: 3,5,5-
CAS Number: 78-59-1
Empirical Formula (Hill Notation): C9H14O
Molecular Weight: 138.21
EC Number: 201-126-0
MDL Number: MFCD00001584
Linear Formula: C9H14O
Product Type: Chemical
| agency | meets purity specifications of JECFA |
| application(s) | flavors and fragrances |
| assay | ≥97% |
| autoignition temp. | 864 °F |
| biological source | synthetic |
| bp | 213-214 °C (lit.) |
| density | 0.923 g/mL at 25 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| expl. lim. | 3.8 % |
| food allergen | no known allergens |
| grade | FG |
| InChI | 1S/C9H14O/c1-7-4-8(10)6-9 |
| InChI key | HJOVHMDZYOCNQW-UHFFFAOYSA |
| mp | −8 °C (lit.) |
| organoleptic | green; musty; cooling; camphoraceous; woody; fruity; sweet |
| Quality Level | 400  |
| refractive index | n |
| reg. compliance | EU Regulation 1334/2008 & 872/2012 |
| SMILES string | CC1=CC(=O)CC(C)(C)C1 |
| vapor density | 4.77 (vs air) |
| vapor pressure | 0.2 mmHg ( 20 °C) |
