W355305

Isophorone

≥97%, FG

• Synonym(s): 3,5,5-Trimethyl-2-cyclohexen-1-one
• Empirical Formula (Hill Notation): C₉H₁₄O
• CAS Number: 78-59-1
• Molecular Weight: 138.21
• FEMA Number: 3553
• Beilstein/REAXYS Number: 1280721
• EC Number: 201-126-0
• Council of Europe no.: 4011
• MDL number: MFCD00001584
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901777
• Flavis number: 7.126
• NACRES: NA.21
• organoleptic: green; musty; cooling; camphoraceous; woody; fruity; sweet
• grade: FG
• biological source: synthetic
• agency: meets purity specifications of JECFA
• food allergen: no known allergens

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG
• agency: meets purity specifications of JECFA
• reg. compliance: EU Regulation 1334/2008 & 872/2012
• vapor density: 4.77 (vs air)
• vapor pressure: 0.2 mmHg ( 20 °C)
• assay: ≥97%
• autoignition temp.: 864 °F
• expl. lim.: 3.8 %
• refractive index: n20/D 1.476 (lit.)
• bp: 213-214 °C (lit.)
• mp: −8 °C (lit.)
• density: 0.923 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• organoleptic: green; musty; cooling; camphoraceous; woody; fruity; sweet
• SMILES string: CC1=CC(=O)CC(C)(C)C1
• InChI: 1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
• InChI key: HJOVHMDZYOCNQW-UHFFFAOYSA-N

Description

Biochem/physiol Actions

Odor at 1.0%

Taste at 30 ppm

Other Notes

Natural occurrence: Burley tobacco, cranberry, macadamia nuts, peas, roasted filbert, saffron, wine and osmanthus.

Safety Information

• pictograms: GHS08,GHS07
• signalword: Warning
• hcodes: H302 + H312,H319,H335,H351
• pcodes: P202 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338 - P308 + P313
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Carc. 2 - Eye Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 1
• flash_point_f: 204.8 °F - closed cup
• flash_point_c: 96.0 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter