Isononanol
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Grundinformationen
- CAS
2430-22-0- Standard-SMILES
CC(C)CCCCCCO- InChIKey
QDTDKYHPHANITQ-UHFFFAOYSA-N- Summenformel
- C9H20O
- Durchschnittliche Molmasse
- 144,25 g/mol
- Monoisotopische Masse
- 144,15141526
Überblick
7-methyloctan-1-ol is a primary alcohol that is octane which is substituted by a methyl group at position 7 and a hydroxy group at position 1. It is a fragrance ingredient. It has a role as a fragrance.
Namen und Bezeichner
- Bevorzugter Name
- Isononanol
- IUPAC
- 7-methyloctan-1-ol
- Englischer Name
- 7-METHYL-1-OCTANOL
- Summenformel
- C9H20O
- Molmasse
- 144.25
Namen und Synonyme
Isononyl alcoholIsononanol27458-94-2NEOFLEX 9EXXAL 9SEXXSOL 9EXXAL 9OXOCOL 900KY36Z95MC2RefChem:923744DTXSID6029753248-471-3
Weitere Namen anzeigen
7-methyl-1-octano7-Methyloctanol (Isononyl Alcohol)7-Methyl-1-octyl Alcohol (unlabelled)7-METHYL-1-OCTANOL ISO 9001：2015 REACH
7-methyloctan-1-ol2430-22-07-Methyloctanol7-METHYL-1-OCTANOL1-Octanol, 7-methyl-7-Methyl-octanol7-Methyl-1-octyl alcoholAlcohols, C8-10-iso-,C9-rich
Datenbank-Bezeichner
- CAS
2430-22-0、27458-94-2、68526-84-1- PubChem CID
- 17072
- DTXSID
DTXSID2058675- ChEBI
CHEBI:188348- UNII
- KY36Z95MC2
- EC Number
- 248-471-3
- Nikkaji
- J42.523K
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 59,7
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesDensity
FragrancesFragrance Ingredient (Isononyl alcohol (isomer unspecified)) -> IFRA transparency List
Physical DescriptionLiquid
Physikochemische Eigenschaften
- Schmelzpunkt
- 64.5 °C · 64.5°C
- Siedepunkt
- 192.9 °C · 192.9°C (estimate)
- Dichte
- 0.826 · 0.8260
- Brechungsindex
- 1.4316 · 1.4316
- storage temp.
- Refrigerator
- Löslichkeit
- Chloroform, Methanol (Slightly)
- Aggregatzustand
- Oil
- pka
- 15.2 · 15.20±0.10(Predicted)
- Farbe
- Colourless
- Henry's Law Constant
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 0.2% (1 of 427) of reports.
Danger
H315 (77.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 427 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 1-Octanol, 7-methyl-
Chemical: Isononanol
Isononanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Isononanol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Isononyl alcohol (EC: 248-471-3)
Isononanol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesSkin Irrit. 2 (77.3%)
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 5,000,000 - <10,000,000 lb
Industry UsesIntermediate
Use ClassificationFragrance Ingredients
General Manufacturing InformationAll Other Basic Inorganic Chemical Manufacturing
Anwendungen
Verwenden7-METHYL-1-OCTANOL is used in the synthesis of the sex pheromone of Elater ferrugineus.
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