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Home › Product Catalog › 2,6,6-Trimethyl-2-cyclohexene-1,4-dione

2,6,6-Trimethyl-2-cyclohexene-1,4-dione

CAS 1125-21-9C9H12O2MW 152.19

2,6,6-Trimethyl-2-cyclohexene-1,4-dione (CAS 1125-21-9) — formula C9H12O2, molecular weight 152.19; category organic chemicals.

Product Description

2,6,6-Trimethyl-2-cyclohexene-1,4-dione (CAS 1125-21-9) is a chemical raw material in the organic chemicals category. Its molecular formula C9H12O2 comprises 9 C, 12 H, 2 O atoms. Its molecular weight is about 152.19. Reported physicochemical data: melting point around 21 °C, boiling point around 92.00 to 94.00 °C. @ 11.00 mm Hg, LogP about 1. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.

Product Overview

CAS Number1125-21-9
Molecular FormulaC9H12O2
Molecular Weight152.19
Melting Point21 °C
Boiling Point92.00 to 94.00 °C. @ 11.00 mm Hg
LogP1
ApplicationsFragrance Ingredients, Flavouring Agent, Flavoring Agents, 2-Cyclohexene-1, 4-dione, 6-trimethyl-: ACTIVE
CategoryOrganic Chemicals

Applications

Documented applications: Fragrance Ingredients, Flavouring Agent, Flavoring Agents, 2-Cyclohexene-1, 4-dione, 6-trimethyl-: ACTIVE.

Technical Profile

What this product is

2,6,6-Trimethyl-2-cyclohexene-1,4-dione is a carbon-based organic compound with CAS registry number 1125-21-9 and molecular formula C9H12O2 (molecular weight 152.19), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 1125-21-9

Its molecular formula C9H12O2 comprises 9 C, 12 H, 2 O atoms.

Also known as: 2,6,6-Trimethyl-2-cyclohexene-1,4-dione · 茶香酮

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 2,6,6-Trimethyl-2-cyclohexene-1,4-dione?

The CAS registry number of 2,6,6-Trimethyl-2-cyclohexene-1,4-dione is 1125-21-9.

What is the molecular formula and molecular weight of 2,6,6-Trimethyl-2-cyclohexene-1,4-dione?

Molecular formula C9H12O2, molecular weight 152.19.

What other names is 2,6,6-Trimethyl-2-cyclohexene-1,4-dione known by?

It is also registered under: 2,6,6-Trimethyl-2-cyclohexene-1,4-dione, 茶香酮.

What are the documented applications of 2,6,6-Trimethyl-2-cyclohexene-1,4-dione?

Recorded applications: Fragrance Ingredients, Flavouring Agent, Flavoring Agents, 2-Cyclohexene-1, 4-dione, 6-trimethyl-: ACTIVE.

Which category does 2,6,6-Trimethyl-2-cyclohexene-1,4-dione belong to?

Category: Organic Chemicals.

Packaging & documentation

Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.

PubChem Public Data

Independent reference data for 2,6,6-Trimethyl-2-cyclohexene-1,4-dione (CAS 1125-21-9), compiled from public chemistry databases.

Registry identifiers across databases

CAS Number1125-21-9
PubChem CID62374
Molecular FormulaC9H12O2
IUPAC Name2,6,6-trimethylcyclohex-2-ene-1,4-dione
UNII (FDA)72WY3KLB5R

Computed descriptors

Molecular Weight152.19
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass152.083729621
Monoisotopic Mass152.083729621
Topological Polar Surface Area34.1
Heavy Atom Count11

Physicochemical values on record

Boiling Point92.00 to 94.00 °C. @ 11.00 mm Hg
Melting Point21 °C

Synonyms and trade names

Ketoisophorone; 1125-21-9; 2,6,6-Trimethyl-2-cyclohexene-1,4-dione; 2,6,6-Trimethylcyclohex-2-ene-1,4-dione; keto-Isophorone; 2-CYCLOHEXENE-1,4-DIONE, 2,6,6-TRIMETHYL-; FEMA No. 3421; DTXSID9021685; 72WY3KLB5R; DTXCID701685; RefChem:83049; TMEC-E-D; 214-406-2; 4-Oxoisophorone; 4-Ketoisophorone; Oxopholone

Regulatory listings held on file

Regulatory & food contactEU Flavoring substances
FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
Flavoring Agents
FLAVOURING_AGENT: Flavouring Agent
Floral
No safety concern at current levels of intake when used as a flavouring agent
GHS notifications3.4% (54 / 1568)

GHS hazard classification

GHS notifications3.4% (54 / 1568)
Notified hazard statementsH302 (85.3%), H317 (13.7%)

Source: PubChem / Wikidata; the batch COA governs where values differ.

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