3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-

HCID 98497CAS 91819-58-8

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Grundinformationen

Standard-SMILES: CC1=CCC(CC=O)C1(C)C
InChIKey: OGCGGWYLHSJRFY-UHFFFAOYSA-N
Summenformel: C10H16O
Durchschnittliche Molmasse: 152,23 g/mol
Monoisotopische Masse: 152,12011513

Überblick

Alpha-campholenaldehyde is an aldehyde that is acetaldehyde in which one of the methyl hydrogens is substituted by a 2,2,3-trimethylcyclopent-3-en-1-yl group. It is a constituent of the essential oil extracted from Angasomyrtus salina. It has a role as a fragrance and a plant metabolite. It is a monocyclic compound and an alpha-CH2-containing aldehyde. It is functionally related to an acetaldehyde. It derives from a hydride of a cyclopentene.

Namen und Bezeichner

Bevorzugter Name: 3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-
IUPAC: 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde
Englischer Name: 2-(2,2,3-Trimethylcyclopent-3-enyl)acetaldehyde
Summenformel: C10H16O
Molmasse: 152.23

Namen und Synonyme

Campholenic aldehyde3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-2,2,3-Trimethyl-3-cyclopenten-1-acetaldehydeDTXSID60859874NSC 58148NSC 96743RefChem:500837DTXCID6020991191819-58-82-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehydeCampholenealdehydealpha-Campholenic aldehyde

Weitere Namen anzeigen

alpha-campholenaldehyde2-(2,2,3-Trimethylcyclopent-3-en-1-yl)

.alpha.-Campholene aldehydeMFCD000438502-(2,2,3-trimethylcyclopent-3-enyl)acetaldehydealpha-Campholene aldehyde(R)-Campholenic aldehyde.alpha.-Campholenic aldehydeNSC-58148NSC-96743

Datenbank-Bezeichner

CAS: 91819-58-8
PubChem CID: 98497
DTXSID: DTXSID60859874
ChEBI: CHEBI:48697
UNII: 3PT83BF2PD
EC Number: 114-151-6
Nikkaji: J93.653G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 189

Physikochemische Eigenschaften

Siedepunkt: 42 · 42-43 °C(Press: 1 Torr)
Dichte: 0.878 · 0.878
Brechungsindex: 1.459 · 1.459
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
EPA chemische Informationen: 3 · 3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl- (91819-58-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P233, P260, P271, P284, P304+P340, P342+P316, P403, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesResp. Sens. 1 (100%)

Sicherheitsdaten

tsca: TSCA listed
hs_code: 2912290090

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsExtracellular

Verwendung und Herstellung

Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-: INACTIVE

Anwendungen

VerwendenCampholenealdehyde is a useful in probing the Lewis acidity and catalytic activity of the metal-organic framework of cupric benzene-1,3,5-tricarboxylate.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter9 Anbieter

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

上海恩诺生物科技有限公司+86 (21) 6435-5022

HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]

安徽今昱生物化工产品技术研发有限公司055167162561 13295518198

Ergänzende Hinweise

DefinitionChEBI: An aldehyde that is acetaldehyde in which one of the methyl hydrogens is substituted by a 2,2,3-trimethylcyclopent-3-en-1-yl group. It is a constituent of the essential oil extracted from Angasomyrtus salina.