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Isononanol chemical structure, C9H20O, CAS 27458-94-2
2D chemical structure

Key facts

What buyers check first

CAS number
27458-94-2
Formula
C9H20O
Molar mass
144.26 g/mol
Physical form
Liquid
HS code
290519
Category
Synthetic aroma chemicals
Illustrative photo, 200 litre blue HDPE drums of liquid in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Isononanol?

Plain description, key identifiers and synonyms

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.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
7-methyloctan-1-ol
CAS number
27458-94-2 CAS number cross-checkedOther or deprecated CAS: 2430-22-0
EC number
248-471-3
Molecular formula
C9H20O
UNII
KY36Z95MC2
MDL number
MFCD00055284
INCI name
ISONONYL ALCOHOL
InChIKey
QDTDKYHPHANITQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H20O/c1-9(2)7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3
SMILES (canonical and isomeric)
CC(C)CCCCCCO

Synonyms

  • Isononyl alcohol
  • Neoflex 9
  • EXXAL 9S
  • Exxsol 9
  • EXXAL 9
  • Oxocol 900
  • 7-methyloctan-1-ol
  • 7-Methyloctanol
  • 7-Methyl-1-octanol
  • 7-Methyl-octanol
  • 1-Octanol, 7-methyl-
  • 7-Methyl-1-octyl alcohol
  • Alcohols, C8-10-iso-,C9-rich
  • 7-Methyl-1-octanol,
  • 7-methyl-octan-1-ol
  • iso-nonanol
  • iso-nonylalcohol
  • (R)-isononyl alcohol
  • 4-01-00-01806 (Beilstein Handbook Reference)
  • 7-Methyl-1-octyl Alcohol (unlabelled)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Physical form
Liquidexp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
144.26 g/molcalc.
Exact mass
144.1514 Dacalc.
LogP (octanol/water)
2.59calc.
Topological polar surface area
20.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
6calc.
Heavy atoms
10calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS05: Corrosive
Corrosive
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H318Causes serious eye damage.
  • H319Causes serious eye irritation.
  • H412Harmful to aquatic life with long lasting effects.
Precautionary statements (13)
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Isononanol suppliers

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Isononanol price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Industrial uses: Intermediate.

Cosmetic ingredient, INCI name ISONONYL ALCOHOL(perfuming)

Roles

  • fragrance

Functional uses

  • Fragrance

Cosmetic functions

  • Perfuming

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Isononanol is traded under.

HS 2905.19Indicative HS code

Saturated monohydric alcohols, other

World exports in 2024
$2.15B
+56.9% vs 2023, imports $1.93B
2019 to 2024
Top exporters
  1. Germany29.0%
  2. Singapore16.6%
  3. Netherlands10.6%
Top importers
  1. China17.3%
  2. Netherlands14.2%
  3. India * partner reported9.6%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Isononanol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Isononanol, based on the data on this page

What is Isononanol?

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.

What is the CAS number of Isononanol?

The CAS registry number of Isononanol is 27458-94-2. Other or deprecated CAS numbers: 2430-22-0.

What is the molecular formula and weight of Isononanol?

The molecular formula of Isononanol is C9H20O and its molar mass is 144.26 g/mol.

What is Isononanol used for?

Industrial uses: Intermediate.

Is Isononanol hazardous?

Isononanol carries the GHS signal word "Danger". Main hazards: causes skin irritation, causes serious eye damage, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Isononanol?

Isononanol is usually classified under HS code 290519 (Saturated monohydric alcohols, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isononanol?

CompoundList lists 14 suppliers of Isononanol in China, India, Turkey, United States and 5 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Isononanol in India?

2 suppliers in India list Isononanol on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Isononanol?

Suppliers quote Isononanol on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Isononanol

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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