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2,6,6-trimethyl-1-cyclohexene-1-acetaldehyde

CAS 472-66-2C11H18OMW 166.26

2,6,6-trimethyl-1-cyclohexene-1-acetaldehyde (CAS 472-66-2) — formula C11H18O, molecular weight 166.26; category organic chemicals.

Product Overview

CAS Number472-66-2
Molecular FormulaC11H18O
Molecular Weight166.26
Boiling Point58.00 to 59.00 °C. @ 760.40 mm Hg
LogP2.2
CategoryOrganic Chemicals

Technical Profile

What this product is

2,6,6-trimethyl-1-cyclohexene-1-acetaldehyde is a carbon-based organic compound with CAS registry number 472-66-2 and molecular formula C11H18O (molecular weight 166.26), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 472-66-2

Its molecular formula C11H18O comprises 11 C, 18 H, 1 O atoms.

Also known as: 2,6,6-trimethyl-1-cyclohexene-1-acetaldehyde · 2,6,6-三甲基-1-环己烯-1-乙醛

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 2,6,6-trimethyl-1-cyclohexene-1-acetaldehyde?

The CAS registry number of 2,6,6-trimethyl-1-cyclohexene-1-acetaldehyde is 472-66-2.

What is the molecular formula and molecular weight of 2,6,6-trimethyl-1-cyclohexene-1-acetaldehyde?

Molecular formula C11H18O, molecular weight 166.26.

What other names is 2,6,6-trimethyl-1-cyclohexene-1-acetaldehyde known by?

It is also registered under: 2,6,6-trimethyl-1-cyclohexene-1-acetaldehyde, 2,6,6-三甲基-1-环己烯-1-乙醛.

Which category does 2,6,6-trimethyl-1-cyclohexene-1-acetaldehyde belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for 2,6,6-trimethyl-1-cyclohexene-1-acetaldehyde (CAS 472-66-2), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number472-66-2
PubChem CID61124
Molecular formulaC11H18O
IUPAC name2-(2,6,6-trimethylcyclohexen-1-yl)acetaldehyde
UNII (FDA)CQ51RNO61H
FEMA number3474
JECFA number978

Computed descriptors

Molecular Weight166.26
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass166.135765193
Monoisotopic Mass166.135765193
Topological Polar Surface Area17.1
Heavy Atom Count12

Physicochemical values on record

Boiling Point58.00 to 59.00 °C. @ 760.40 mm Hg
Boiling Point58 °C (0.4 mm Hg)
Density0.873-0.885 (20 °C)
Refractive Index1.480-1.487

Documented uses on record

    Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional ClassesFlavoring Agents -> JECFA Flavorings Index

    Synonyms and trade names

    2,6,6-Trimethyl-1-cyclohexene-1-acetaldehyde; 472-66-2; beta-Homocyclocitral; 2,6,6-Trimethyl-1-cyclohexen-1-acetaldehyde; FEMA No. 3474; 1-CYCLOHEXENE-1-ACETALDEHYDE, 2,6,6-TRIMETHYL-; Cyclohomocitral, beta-; Homocyclocitral, beta-; Apo-8-carotenal, beta-; DTXSID0047088; 2-(2,6,6-trimethylcyclohex-1-en-1-yl)acetaldehyde; CQ51RNO61H; beta-Apo-8-carotenal; EINECS 207-454-0; .BETA.-HOMOCYCLOCITRAL; DTXCID8027088

    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
    No safety concern at current levels of intake when used as a flavouring agent
    Secondary components do not raise a safety concern.

    GHS hazard classification

    Reported hazard statementsH302 (97.1%)

    H302 (97.1%): Harmful if swallowed [Warning Acute toxicity, oral]

    P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

    What the public record says

    2,6,6-trimethyl-1-cyclohexene-1-acetaldehyde · CAS 472-66-2 · C11H18O. UNII CQ51RNO61H. Boiling Point: 58.00 to 59.00 °C. @ 760.40 mm Hg; Boiling Point: 58 °C (0.4 mm Hg); Density: 0.873-0.885 (20 °C).

    Physical description and handling notes

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

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