5-Methylhexanoic acid

HCID 12344CAS 1330-19-4
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Grundinformationen

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 Struktureigenschaften

XLogP
2,2
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
4
Schwere Atome
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 · 2 Einträge

soluble in water; miscible with fat

(in ethanol)

Physikochemische Eigenschaften

Schmelzpunkt
-55.77 °C · -55.77°C (estimate)
Siedepunkt
216 °C · 216°C
Dichte
0 · 0,91 g/cm3
FEMA
3572 · 3572 | 5-METHYLHEXANOIC ACID
Brechungsindex
1.422 · 1.4220
Flammpunkt
100 °C · >100°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 · 5 Einträge

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 · 2 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationHexanoic acid, 5-methyl-: ACTIVE
Anwendungen · 3 Einträge

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

Nachgelagerte Produkte

Anbieter50 Anbieter

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

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