2,4-Dimethyl-2-pentenoic acid

HCID 53422899
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Grundinformationen

CAS
66634-97-7
Standard-SMILES
CC(=CC(C)C)C(=O)O
InChIKey
DMHLGGQHOSTMJG-UHFFFAOYSA-N
Summenformel
C7H12O2
Durchschnittliche Molmasse
128,17 g/mol
Monoisotopische Masse
128,08372962

Namen und Bezeichner

Bevorzugter Name
2,4-Dimethyl-2-pentenoic acid
IUPAC
2,4-dimethylpent-2-enoic acid

Namen und Synonyme

2,4-Dimethyl-2-pentenoic acid2,4-dimethylpent-2-enoic acidDTXSID20867238RefChem:82498dimethyl-2-pentenoic acidDTXCID808154372,4-DIMETHYL-2-PENTENOIC ACID [FHFI]613-967-4(2E)-2,4-dimethylpent-2-enoic acid2-Pentenoic acid, 2,4-dimethyl-66634-97-7FEMA NO. 3143
Weitere Namen anzeigen
UNII-YSD821326PYSD821326PMFCD00209505SCHEMBL21716SCHEMBL6719961SCHEMBL9158019SCHEMBL153809062,4-dimethyl-pent-2-enoic acid

Datenbank-Bezeichner

CAS
66634-97-7
PubChem CID
53422899
DTXSID
DTXSID20867238
ChEBI
CHEBI:173500
EC Number
613-967-4

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
1,7
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Density0.991-0.999
Solubility · 2 Einträge

Very slightly soluble in water; soluble in oils

soluble (in ethanol)

Boiling Point133-134 °C (15 mm Hg)
Refractive Index1.459-1.467
Physical DescriptionColourless liquid; pungent, sickly sweet

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information2-Pentenoic acid, 2,4-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (50%)；Eye Irrit. 2 (100%)；STOT SE 3 (50%)

Regulatorische Informationen

Regulatory Information2-Pentenoic acid, 2,4-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Chemie und Industrie

Verwendung und Herstellung

Use Classification · 2 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Anbieter4 Anbieter

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]

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