5-Methylhexyl acetate
Grundinformationen
- CAS
180348-60-1- Standard-SMILES
CC(=O)OCCCCC(C)C- InChIKey
OOYBITFWBADNKC-UHFFFAOYSA-N- Summenformel
- C9H18O2
- Durchschnittliche Molmasse
- 158,24 g/mol
- Monoisotopische Masse
- 158,13067981
Überblick
Isoheptyl acetate appears as a clear colorless liquid with a sweet mint-like odor. Less dense than water. Vapors heavier than air. Eye contact may cause irritation. Frequent or prolonged skin contact may cause irritation and dermatitis. Vapors irritate the eyes and respiratory tract and may cause headaches and dizziness. Vapors are anesthetic and may have other central nervous system effects. Vapors may also cause liver and kidney disorder. Ingestion of the liquid into the respiratory system may cause bronchopneumonia or pulmonary edema.
Namen und Bezeichner
- Bevorzugter Name
- 5-Methylhexyl acetate
- IUPAC
- 5-methylhexyl acetate
- Englischer Name
- ACETIC ACID, ALKYL (C6 TO C8) ESTERS MIXTURE
- Summenformel
- C9H18O2
- Molmasse
- 158.23802
Namen und Synonyme
5-Methylhexyl acetateIsoheptyl acetate180348-60-1Acetic acid, isoheptyl esterFEMA no. 43465-Methylhexyl acetate [FHFI]72246-17-41-Hexanol, 5-methyl-, acetate1-Hexanol, 5-methyl-, 1-acetateUNII-OL55QJ40C8OL55QJ40C8DTXSID6057584
Weitere Namen anzeigen
OXO-HEPTYL ACETATEaceticacid,c6-c8branchedaceticacid,c6-c8branchedalkylestersAceticacid,C6-8-branchedalkylestersC6-C8 branched alcohol, acetate esteraceticacid,alkyl(c6toc8)estersmixture
Isoheptyl acetate (combustible liquid, n.o.s.)RefChem:103198DTXCID709065605-889-4180348-60-1; 72246-17-4SCHEMBL410091CHEBI:179885OOYBITFWBADNKC-UHFFFAOYSA-N
Datenbank-Bezeichner
- CAS
180348-60-1、72246-17-4、90438-79-2- PubChem CID
- 22182954
- DTXSID
DTXSID6057584- ChEBI
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 108
Experimentelle und physikochemische Eigenschaften
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.869 - 0.878
Solubility
Practically insoluble or insoluble
Insoluble (in ethanol)
Boiling Point183-184 °CC
Refractive Index1.411 - 1.421
Physical Description
Isoheptyl acetate appears as a clear colorless liquid with a sweet mint-like odor. Less dense than water. Vapors heavier than air. Eye contact may cause irritation. Frequent or prolonged skin contact may cause irritation and dermatitis. Vapors irritate the eyes and respiratory tract and may cause headaches and dizziness. Vapors are anesthetic and may have other central nervous system effects. Vapors may also cause liver and kidney disorder. Ingestion of the liquid into the respiratory system may cause bronchopneumonia or pulmonary edema.
Clear to pale yellow liquid; Liquid; sweet fruity aroma
Physikochemische Eigenschaften
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Gefahrenhinweise
DOT LabelCombustible Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
ISOHEPTYL ACETATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Sicherheit und Schutzausrüstung
Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
First AidExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Personal Protective Equipment (PPE)
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
Use Classification
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
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