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) |
Biochem/physiol Actions: | Odor at 1.0% |
Biochem/physiol Actions: | Taste at 30 ppm |
Other Notes: | Natural occurrence: Burley tobacco, cranberry, macadamia nuts, peas, roasted filbert, saffron, wine and osmanthus. |
Packaging: | 1 kg in glass bottle |
Packaging: | 5, 20 kg in composite drum |
Symbol | ![]() ![]() |
Signal word | Warning |
Hazard statements | H302 + H312 - H319 - H335 - H351 |
Precautionary statements | P201 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338 - P308 + P313 |
Hazard Codes | Xn |
Risk Statements | 21/22-36/37-40 |
Safety Statements | 13-23-36/37/39-46 |
RIDADR | UN 3082 9 / PGIII |
WGK Germany | WGK 1 |
Flash Point(F) | 204.8 °F - closed cup |
Flash Point(C) | 96.0 °C - closed cup |
Purity | ≥97% |
bp | 213-214 °C (lit.) |
mp | −8 °C (lit.) |
Density | 0.923 g/mL at 25 °C (lit.) |
Refractive Index | n |
FEMA Number | 3553 |
UNSPSC | 12164502 |