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2-Isopropyl-5-methyl-2-hexenal

CAS 35158-25-9C10H18OMW 154.14 g/mol

2-Isopropyl-5-methyl-2-hexenal (CAS 35158-25-9) — formula C10H18O, molecular weight 154.14 g/mol; category organic chemicals.

Product Overview

CAS Number35158-25-9
Molecular FormulaC10H18O
Molecular Weight154.14 g/mol
Boiling Point189 °C
LogP2.9
CategoryOrganic Chemicals

Technical Profile

What this product is

2-Isopropyl-5-methyl-2-hexenal is a carbon-based organic compound with CAS registry number 35158-25-9 and molecular formula C10H18O (molecular weight 154.14 g/mol), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 35158-25-9

Its molecular formula C10H18O comprises 10 C, 18 H, 1 O atoms.

Also known as: 2-Isopropyl-5-methyl-2-hexenal · 可可醛

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 2-Isopropyl-5-methyl-2-hexenal?

The CAS registry number of 2-Isopropyl-5-methyl-2-hexenal is 35158-25-9.

What is the molecular formula and molecular weight of 2-Isopropyl-5-methyl-2-hexenal?

Molecular formula C10H18O, molecular weight 154.14 g/mol.

What other names is 2-Isopropyl-5-methyl-2-hexenal known by?

It is also registered under: 2-Isopropyl-5-methyl-2-hexenal, 可可醛.

Which category does 2-Isopropyl-5-methyl-2-hexenal belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for 2-Isopropyl-5-methyl-2-hexenal (CAS 35158-25-9), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number35158-25-9
PubChem CID37066
Molecular formulaC10H18O
Molecular weight154.14 g/mol
IUPAC name5-methyl-2-propan-2-ylhex-2-enal
InChIKeyIOLQAHFPDADCHJ-UHFFFAOYSA-N
UNII (FDA)7F8Q5STQ11
FEMA number3406
JECFA number1215

Computed descriptors

Molecular Weight154.25
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass154.135765193
Monoisotopic Mass154.135765193
Topological Polar Surface Area17.1
Heavy Atom Count11

Physicochemical values on record

Boiling Point189 °C
Density0.840-0.846
Refractive Index1.448-1.454

Documented uses on record

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

    Synonyms and trade names

    35158-25-9; 2-Isopropyl-5-methyl-2-hexenal; 5-methyl-2-propan-2-ylhex-2-enal; 5-Methyl-2-isopropyl-2-hexenal; 2-Hexenal, 5-methyl-2-(1-methylethyl)-; 2-Isopropyl-5-methylhex-2-enal; FEMA No. 3406; 2-Hexenal, 2-isopropyl-5-methyl-; 2-Isopropyl-5-methyl-2-hexen-1-al; 7F8Q5STQ11; RefChem:87286; 252-406-4; (e)-2-isopropyl-5-methyl-2-hexenal; Pregabalin Impurity N48; Pregabalin Impurity 164; SCHEMBL459468

    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 notification summary0.1% (1 / 1450)

    GHS hazard classification

    GHS notification summary0.1% (1 / 1450)
    Reported hazard statementsH315

    This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1450) of reports.

    H315 (> 99.9%): Causes skin irritation [Warning Skin corrosion/irritation]

    What the public record says

    2-Isopropyl-5-methyl-2-hexenal is identified by CAS 35158-25-9, molecular formula C10H18O and molecular weight 154.14 g/mol. UNII 7F8Q5STQ11; InChIKey IOLQAHFPDADCHJ-UHFFFAOYSA-N. Boiling Point: 189 °C; Density: 0.840-0.846; Refractive Index: 1.448-1.454.

    Physical description and handling notes

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

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