Isononanol (HCID 17072)

Overview

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.

Names & identifiers

Preferred name: Isononanol
IUPAC: 7-methyloctan-1-ol
English name: 7-METHYL-1-OCTANOL
Molecular formula: C9H20O
Molecular weight: 144.25

Names & synonyms

Isononyl alcoholIsononanol27458-94-2KY36Z95MC2NEOFLEX 9EXXAL 9SEXXSOL 9EXXAL 9OXOCOL 900RefChem:923744DTXSID6029753248-471-3

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 10
Formal charge: 0
Complexity: 59.7

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

FragrancesFragrance Ingredient (Isononyl alcohol (isomer unspecified)) -> IFRA transparency List

Physical DescriptionLiquid

Physicochemical properties

Melting point: 64.5 °C · 64.5°C
Boiling point: 192.9 °C · 192.9°C (estimate)
Density: 0.826 · 0.8260
refractive index: 1.4316 · 1.4316
storage temp.: Refrigerator
solubility: Chloroform, Methanol (Slightly)
form: Oil
pka: 15.2 · 15.20±0.10(Predicted)
color: Colourless
Henry's Law Constant: 4.3 · 4.3×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
LogP: 3.23 · 3.230 (est)
EPA Substance Registry System: 1 · 1-Octanol, 7-methyl- (2430-22-0)

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Regulatory Information · 5 items

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%)

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 5,000,000 - <10,000,000 lb

Industry UsesIntermediate

Use ClassificationFragrance Ingredients

General Manufacturing InformationAll Other Basic Inorganic Chemical Manufacturing

Applications

Uses7-METHYL-1-OCTANOL is used in the synthesis of the sex pheromone of Elater ferrugineus.

Uses7-Methyloctanol is used in the synthesis of the sex pheromone of Elater ferrugineus.

Upstream & downstream products

Downstream products

Diisononyl phthalate 1,2-Bis(7-Methyloctyl)cyclohexyl-1,2-dicarboxylate

Suppliers50 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

艾特（浙江）供应链管理有限公司15553101207 18615619105

山东隆汇化工有限公司531-88613858 15562516958 · [email protected]

Additional notes

DefinitionChEBI: 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.