Grundinformationen
- CAS
45019-28-1- Standard-SMILES
CCCCCC(C)CCC(=O)O- InChIKey
WQTZCQIRCYSUBQ-UHFFFAOYSA-N- Summenformel
- C10H20O2
- Durchschnittliche Molmasse
- 172,26 g/mol
- Monoisotopische Masse
- 172,14632988
Überblick
4-Methylnonanoic acid is a medium-chain fatty acid.
Namen und Bezeichner
- Bevorzugter Name
- 4-Methylnonanoic acid
- IUPAC
- 4-methylnonanoic acid
- Lokaler Name
- 4-Methylnonan-1-sure
- Englischer Name
- 4-Methylnonanoic acid
- Summenformel
- C10H20O2
- Molmasse
- 172.26
Namen und Synonyme
4-Methylnonanoic acid45019-28-1Nonanoic acid, 4-methyl-4-Methylpelargonic acid4-methyl nonanoic acidFEMA No. 3574Methylpelargonic acidEINECS 256-180-8UNII-5BKU622F1K5BKU622F1KAI3-30047DTXSID80866121
Weitere Namen anzeigen
FEMA 3574FEMA NUMBER 35744-methyl-nonanoicaci4-Methylnonan-1-sure4-methylpelonaic acid
4-METHYLNONANOIC ACID [FHFI]RefChem:99904DTXCID40814446(+-)-4-METHYLNONANOIC ACID4-METHYLNONANOIC ACID, (+-)-256-180-8WQTZCQIRCYSUBQ-UHFFFAOYSA-NMFCD00051789
Datenbank-Bezeichner
- CAS
45019-28-1- PubChem CID
- 62003
- DTXSID
DTXSID80866121- ChEBI
CHEBI:179535- UNII
- 5BKU622F1K
- EC Number
- 256-180-8
- Nikkaji
- J319.941J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 121
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
SpringerMaterials PropertiesDensity
FragrancesFragrance Ingredient (4-Methylnonanoic acid) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.900-0.909 (20 °C/20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water
(in ethanol)
Boiling Point
292.00 to 293.00 °C. @ 760.00 mm Hg
292-293 °C
Refractive Index1.433-1.44
Physical Descriptioncolourless to pale yellow liquid with a costus, animal odour
Physikochemische Eigenschaften
- Siedepunkt
- 292 · 292-293 °C (lit.)
- Dichte
- 0.871 g/mL · 0.871 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.4355(lit.)
- FEMA
- 3574 · 3574 | 4-METHYLNONANOIC ACID
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 4.8 · 4.80±0.10(Predicted)
- Geruch (Odor)
- 1 % · at 1.00 % in propylene glycol. meaty pork lamb chicken
- Geruchsart
- meaty
- Biologische Quelle
- synthetic
- JECFA Number
- 274 · 274
- BRN
- 1758201 · 1758201
- Major Application
- flavors and fragrances
- InChI
- 1S/C10H20O2/c1-3-4-5-6-9(2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
- InChIKey
- WQTZCQIRCYSUBQ-UHFFFAOYSA-N
- SMILES
- CCCCCC(C)CCC(O)=O
- LogP
- 3.78 · 3.78
- CAS Datenbank
- 45019 · 45019-28-1(CAS DataBase Reference)
- EPA chemische Informationen
- 4 · Nonanoic acid, 4-methyl- (45019-28-1)
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 < 0.1% (1 of 1447) of reports.
Warning
H315 (91.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 1447 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Nonanoic acid, 4-methyl-
Regulation (EC) No 1831/2003 (amended)
Nonanoic acid, 4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (91.4%)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- hs_code
- 2915.90.1800
- risk_code
- 34-43-52/53
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Skin Corr. 1BSkin Sens. 1
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationNonanoic acid, 4-methyl-: ACTIVE
Anwendungen
OccurrenceReported found in cooked mutton fat, romano cheese, sheep and goat cheese and raw and cooked mutton
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter100 Anbieter
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