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cis-3-Hexenal

CAS 6789-80-6C6H10OMW 98.07 g/mol

cis-3-Hexenal (CAS 6789-80-6) — formula C6H10O, molecular weight 98.07 g/mol.

Product Overview

CAS Number6789-80-6
Molecular FormulaC6H10O
Molecular Weight98.07 g/mol
Boiling Point20.00 °C. @ 0.20 mm Hg
LogP1.1

Technical Profile

What this product is

cis-3-Hexenal is a chemical compound with CAS registry number 6789-80-6 and molecular formula C6H10O (molecular weight 98.07 g/mol).

Identification

CAS number: 6789-80-6

Its molecular formula C6H10O comprises 6 C, 10 H, 1 O atoms.

Also known as: cis-3-Hexenal · 顺式-3-己烯醛 溶液

Frequently Asked Questions

What is the CAS number of cis-3-Hexenal?

The CAS registry number of cis-3-Hexenal is 6789-80-6.

What is the molecular formula and molecular weight of cis-3-Hexenal?

Molecular formula C6H10O, molecular weight 98.07 g/mol.

What other names is cis-3-Hexenal known by?

It is also registered under: cis-3-Hexenal, 顺式-3-己烯醛 溶液.

PubChem Public Data

Independent reference data for cis-3-Hexenal (CAS 6789-80-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number6789-80-6
PubChem CID643941
Molecular formulaC6H10O
Molecular weight98.07 g/mol
IUPAC name(Z)-hex-3-enal
InChIKeyGXANMBISFKBPEX-ARJAWSKDSA-N
UNII (FDA)6V54TKA96C
ChEBI IDCHEBI:23292
FEMA number2561
JECFA number316

Computed descriptors

Molecular Weight98.14
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass98.073164938
Monoisotopic Mass98.073164938
Topological Polar Surface Area17.1
Heavy Atom Count7

Physicochemical values on record

Boiling Point20.00 °C. @ 0.20 mm Hg
Boiling Point20 °C (20 mm Hg)
Density0.967-0.973
Refractive Index1.427-1.436

Documented uses on record

    Used as flavoring agent or adjuvant; [FDA] Also used in fragrances; [Bedoukian Research MSDS]Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

    Synonyms and trade names

    cis-3-Hexenal; 6789-80-6; (Z)-3-HEXENAL; 3-Hexenal, (3Z)-; 3-(Z)-Hexenal; FEMA No. 2561; 6V54TKA96C; CHEBI:23292; DTXSID30884335; FEMA NO. 3923, Z-; RefChem:502167; DTXCID30912021; 229-854-4; (Z)-Hex-3-enal; 3-Hexenal, (Z)-; 3-Hexenal, cis-

    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
    TRS 891-JECFA 51/68

    GHS hazard classification

    Reported hazard statementsH226 (97.6%), H302 (100%)

    H226 (97.6%): Flammable liquid and vapor [Warning Flammable liquids]

    H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

    What the public record says

    cis-3-Hexenal is identified by CAS 6789-80-6, molecular formula C6H10O and molecular weight 98.07 g/mol. UNII 6V54TKA96C; ChEBI 23292; InChIKey GXANMBISFKBPEX-ARJAWSKDSA-N. Boiling Point: 20.00 °C. @ 0.20 mm Hg; Boiling Point: 20 °C (20 mm Hg); Density: 0.967-0.973.

    Physical description and handling notes

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

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