Alkohole, C8-10-Iso-, C9-reich

Isononanol

HCID 17072CAS 2430-22-0

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

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 alcoholIsononanol27458-94-2KY36Z95MC2NEOFLEX 9EXXAL 9SEXXSOL 9EXXAL 9OXOCOL 900RefChem: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-OCTANOL7-Methyl-octanol1-Octanol, 7-methyl-7-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 Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 20,2 Å²
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: 4.3 · 4.3×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
LogP: 3.23 · 3.230 (est)
EPA chemische Informationen: 1 · 1-Octanol, 7-methyl- (2430-22-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 · 5 Einträge

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)

Status: Active Update: 15-12-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/13404

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%)