Isophorone, 99%

Name: Isophorone, 99%
Brand: Vaqora Chemicals
SKU: VQ-019236

About Isophorone, 99%

Isophorone (CAS 78-59-1) is an aroma chemical offered by Vaqora Chemicals (Synthesis grade) at a purity of 99%. Formula C9H14O, molecular weight 138.21 g/mol. The IUPAC name is 3,5,5-trimethylcyclohex-2-en-1-one. Alternative names: 3,5,5-Trimethyl-2-cyclohexen-1-one and Isoacetophorone.

The material typically appears as a colourless to faint yellow liquid. Key physical data: a melting point of -8 °C. Store in a cool, well-ventilated place, away from sources of ignition, with the container tightly sealed. Under GHS it is labelled “Warning”, so handle it with suitable PPE and consult the SDS.

It is commonly used for flavour formulation, fragrance compounding, aroma research and polymer and resin production. It is used across food and beverage processing, cosmetics and personal care and agrochemical production.

Available in 500 mL, 5 L and 200 kg packs, Isophorone is dispatched with a Certificate of Analysis (COA) to destinations worldwide.

Typical applications

Flavour formulation
Fragrance compounding
Aroma research
Polymer & resin production

Industries

Specifications & identifiers

Chemical identifiers
Product name	Isophorone, 99%
Catalogue No.	VQ-019236
CAS Number	78-59-1
IUPAC name	3,5,5-trimethylcyclohex-2-en-1-one
Molecular formula	C₉H₁₄O
Molecular weight	138.21 g/mol
Exact mass	138.1045
Grade	Synthesis
Purity / assay	99%
HSN code	29142990
InChIKey	HJOVHMDZYOCNQW-UHFFFAOYSA-N
SMILES	CC1=CC(=O)CC(C1)(C)C
PubChem CID	6544

Physical properties
Physical form	Liquid
Appearance	Colourless to faint yellow liquid
Melting point	-8 °C
LogP (XLogP3)	1.6
H-bond donors / acceptors	0 / 1
TPSA	17.1 Å²
Synonyms	3,5,5-Trimethyl-2-cyclohexen-1-one, Isoacetophorone, Isoforone, Isooctopherone, alpha-Isophorone, 2-Cyclohexen-1-one, 3,5,5-trimethyl-, 1,1,3-Trimethyl-3-cyclohexene-5-one, 3,5,5-Trimethyl-2-cyclohexenone, 3,5,5-Trimethyl-2-cyclohexen-1-on, 3,5,5-Trimetil-2-cicloesen-1-one, 3,5,5-Trimethyl-2-cyclohexene-1-one, alpha-Isophoron

Safety & hazard information (GHS)

Harmful / irritant

Health hazard

Signal word: Warning

Hazard statements

H302Harmful if swallowed
H312Harmful in contact with skin
H319Causes serious eye irritation
H335May cause respiratory irritation
H351Suspected of causing cancer

Precautionary statements: P203, P261, P264, P264 + P265, P270, P271, P280, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P317, P318, P319, P321, P330, P337 + P317, P362 + P364, P403 + P233, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Other grades of CAS 78-59-1

AR

Isophorone, GR 99%+

CAS: 78-59-1
Formula: C₉H₁₄O
MW: 138.21 g/mol

VQ-019237

Frequently asked questions

What is the CAS number of Isophorone, 99%?

The CAS Registry Number of Isophorone, 99% is 78-59-1. It is also known as 3,5,5-Trimethyl-2-cyclohexen-1-one, Isoacetophorone, Isoforone.

What is the molecular formula and molecular weight of Isophorone, 99%?

Isophorone, 99% has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 3,5,5-trimethylcyclohex-2-en-1-one.

Which grade and pack sizes of Isophorone, 99% can I order?

We supply Isophorone, 99% in Synthesis (99%) grade, in 500 mL, 5 L, 200 kg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Isophorone, 99%?

Yes. Every lot of Isophorone, 99% is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Isophorone, 99% be shipped internationally?

Yes. Isophorone, 99% is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.