5-Methylhexanoic acid
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Grundinformationen
- CAS
1330-19-4- Standard-SMILES
CC(C)CCCC(=O)O- InChIKey
MHPUGCYGQWGLJL-UHFFFAOYSA-N- Summenformel
- C7H14O2
- Durchschnittliche Molmasse
- 130,18 g/mol
- Monoisotopische Masse
- 130,09937969
Überblick
5-methyl-hexanoic acid is a medium-chain fatty acid.
Namen und Bezeichner
- Bevorzugter Name
- 5-Methylhexanoic acid
- IUPAC
- 5-methylhexanoic acid
- Englischer Name
- 5-Methylhexanoic acid
- Summenformel
- C7H14O2
- Molmasse
- 130.18
Namen und Synonyme
5-METHYLHEXANOIC ACID628-46-6Isoenanthic acid5-Methylcaproic acidIsoamylacetic acidHexanoic acid, 5-methyl-5-Methyl hexanoic acidIsovenanthic acid5-methyl-hexanoic acid5-Methylhexylic acidFEMA No. 3572N1AK4X34C2
Weitere Namen anzeigen
FEMA 3572Zinc01587816isoenanthicacidsoheptylic acidFEMA NUMBER 3572isoheptylic acid5-methylhexylicacidIsoamylaceric acid
DTXSID8044252NSC-1075DTXCID6024252RefChem:103197613-089-1Isoheptanoic acid1330-19-45-METHYLHEXANOICACID
Datenbank-Bezeichner
- CAS
1330-19-4、628-46-6- PubChem CID
- 12344
- DTXSID
DTXSID8044252- ChEMBL
CHEMBL3182412- ChEBI
CHEBI:179997- UNII
- N1AK4X34C2
- EC Number
- 215-534-1、613-089-1
- Nikkaji
- J95.660K
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 86,9
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
SpringerMaterials PropertiesDensity
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.912 (24 °C)
Flavoring AgentsEU Flavoring substances
Solubility
soluble in water; miscible with fat
(in ethanol)
Boiling Point216 °C
Melting Point< -25 °C
Refractive Index1.422
Physical Description
Liquid
liquid with a cheese fermented odour
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2.1% (1 of 48) of reports.
Danger
H314 (12.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Hexanoic acid, 5-methyl-
Chemical: Isoheptanoic acid
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Isoheptanoic acid: Does not have an individual approval but may be used under an appropriate group standard
Hexanoic acid, 5-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Isoheptanoic acid: Human health tier I assessment
Hazard Classes and CategoriesSkin Corr. 1B (12.5%)
Sicherheitsdaten
- wgk
- WGK 3
- tsca
- TSCA listed
- ridadr
- 3265
- hs_code
- 2915907098
- RTECS-Nr.
- MO8400900
- risk_code
- 34-41
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationHexanoic acid, 5-methyl-: ACTIVE
Anwendungen
Beschreibung5-Methylhexanoic acid has a fermented cheese odor.
OccurrenceReported found in heated pork, strawberry, tea, mango and babaco fruit (Carica pentagona Heilborn)
VerwendenIon-exclusion chromatographic separations of C1-C6 aliphatic carboxylic acids on a sulfonated styrene-divinylbenzene co-polymer resin column, high sensitive conductimetric detection is achieved with 5-methylhexanoic acid as eluent.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
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