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Home › Product Catalog › 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one

4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one

CAS 31499-72-6C13H22OMW 194.31

4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one (CAS 31499-72-6) — formula C13H22O, molecular weight 194.31; category organic chemicals.

Product Overview

CAS Number31499-72-6
Molecular FormulaC13H22O
Molecular Weight194.31
Boiling Point234 °C
LogP2.8
Packaging25/50kg 编织袋、20/25/50kg 纸板桶、200kg 塑料桶、1000kg IBC（以订单确认为准）
Applications典型应用领域：食品增香, 日化。规格, 纯度：以批次 COA 为准。包装：25, 50kg 编织袋, 20, 25, 50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 避光, 密封保存, 开封后尽快使用。样品 10~100g 或 100~500g, 贸易条款 FOB, CIF, CFR, 每批随附 COA, MSDS, SDS 按需。
CategoryOrganic Chemicals

Applications

Documented applications: 典型应用领域：食品增香, 日化。规格, 纯度：以批次 COA 为准。包装：25, 50kg 编织袋, 20, 25, 50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 避光, 密封保存, 开封后尽快使用。样品 10~100g 或 100~500g, 贸易条款 FOB, CIF, CFR, 每批随附 COA, MSDS, SDS 按需。.

Packaging & Storage

Packaging25/50kg 编织袋、20/25/50kg 纸板桶、200kg 塑料桶、1000kg IBC（以订单确认为准）

Technical Profile

What this product is

4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one is a carbon-based organic compound with CAS registry number 31499-72-6 and molecular formula C13H22O (molecular weight 194.31), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 31499-72-6

Its molecular formula C13H22O comprises 13 C, 22 H, 1 O atoms.

Also known as: 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one · 7,8-二氢紫罗兰酮 · Dihydro-Alpha-ionone

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one?

The CAS registry number of 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one is 31499-72-6.

What is the molecular formula and molecular weight of 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one?

Molecular formula C13H22O, molecular weight 194.31.

What other names is 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one known by?

It is also registered under: 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one, 7,8-二氢紫罗兰酮, Dihydro-Alpha-ionone.

What are the documented applications of 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one?

Recorded applications: 典型应用领域：食品增香, 日化。规格, 纯度：以批次 COA 为准。包装：25, 50kg 编织袋, 20, 25, 50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 避光, 密封保存, 开封后尽快使用。样品 10~100g 或 100~500g, 贸易条款 FOB, CIF, CFR, 每批随附 COA, MSDS, SDS 按需。.

Which category does 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)butan-2-one (CAS 31499-72-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number31499-72-6
PubChem CID35821
Molecular formulaC13H22O
Molecular weight194.17 g/mol
IUPAC name4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one
InChIKeyJHJCHCSUEGPIGE-UHFFFAOYSA-N
UNII (FDA)20P9Z50AR5
ChEBI IDCHEBI:191058
FEMA number3628
JECFA number393

Computed descriptors

Molecular Weight194.31
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass194.167065321
Monoisotopic Mass194.167065321
Topological Polar Surface Area17.1
Heavy Atom Count14

Physicochemical values on record

Boiling Point234 °C
Density0.919-0.927
Refractive Index1.476-1.482

Documented uses on record

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

    Synonyms and trade names

    Dihydro-alpha-ionone; 4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one; FEMA No. 3628; EINECS 250-657-4; 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butanone; Dihydro-.alpha.-ionone; 2-BUTANONE, 4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-; alpha-Dihydroionone; .alpha.-7,8-Dihydroionone; UNII-20P9Z50AR5; .alpha.-Dihydroionone; 4-(2,2,6-Trimethyl-5-cyclohexen-1-yl)-2-butanone; 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)butan-2-one; AI3-32481; 20P9Z50AR5; 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl-2-butanone

    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
    Fruit
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary85.9% (237 / 276)

    GHS hazard classification

    GHS notification summary85.9% (237 / 276)
    Reported hazard statementsH315 (14.1%), H319 (14.1%), H335 (14.1%)

    This chemical does not meet GHS hazard criteria for 85.9% (237 of 276) of all reports.

    H315 (14.1%): Causes skin irritation [Warning Skin corrosion/irritation]

    What the public record says

    Dihydro-Alpha-ionone is identified by CAS 31499-72-6, molecular formula C13H22O and molecular weight 194.17 g/mol. UNII 20P9Z50AR5; ChEBI 191058; InChIKey JHJCHCSUEGPIGE-UHFFFAOYSA-N. Boiling Point: 234 °C; Density: 0.919-0.927; Refractive Index: 1.476-1.482.

    Physical description and handling notes

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

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