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Impurities and reference standards

alpha-Ionene

Also known as 1,1,6-Trimethyltetralin, Ionene, Naphthalene, 1,2,3,4-tetrahydro-1,1,6-trimethyl-

CAS 475-03-6Formula C13H18Molar mass 174.29 g/molEC 207-490-7
GHS hazard pictograms. Pictograms: Hazardous to the environment 1 supplier listed
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alpha-Ionene chemical structure, C13H18, CAS 475-03-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
475-03-6
Formula
C13H18
Molar mass
174.29 g/mol
EC number
207-490-7
HS code
290290
Category
Impurities and reference standards

What is alpha-Ionene?

Plain description, key identifiers and synonyms

1,1,6-trimethyltetralin is a member of the class of tetralins that is tetralin substituted by methyl groups at positions 1, 1 and 6 respectively. It has a role as a metabolite. It is an ortho-fused bicyclic hydrocarbon and a member of tetralins. It derives from a hydride of a tetralin.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4,4,7-trimethyl-2,3-dihydro-1H-naphthalene
CAS number
475-03-6 CAS number cross-checked
EC number
207-490-7
Molecular formula
C13H18
UNII
B2ZN1K7W3Q
MDL number
MFCD00049170
InChIKey
LTMQZVLXCLQPCT-UHFFFAOYSA-N
InChI
InChI=1S/C13H18/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h6-7,9H,4-5,8H2,1-3H3
SMILES (canonical and isomeric)
CC1=CC2=C(C=C1)C(CCC2)(C)C

Synonyms

  • 1,1,6-Trimethyltetralin
  • Ionene
  • Naphthalene, 1,2,3,4-tetrahydro-1,1,6-trimethyl-
  • 1,1,6-Trimethyltetraline
  • 1,2,3,4-Tetrahydro-1,1,6-trimethylnaphthalene
  • 1,2,3,4-Tetrahydro-1,1,6-trimethyl-naphthalene
  • Naphthalene, 1,2,3,4-tetrahydro-1,6,6-trimethyl-
  • a-Ionene
  • 1,1,6-Trimethyl-1,2,3,4-tetrahydronaphthalene
  • 4,4,7-trimethyl-2,3-dihydro-1H-naphthalene
  • 1,1,6-trimethyl-1,2,3,4-tetrahydro-naphthalene
  • Ionone Impurity 4
  • 1,1,6-Trimethyl tetralin
  • Ionone Impurity 10

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

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

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
174.29 g/molcalc.
Exact mass
174.1409 Dacalc.
LogP (octanol/water)
3.61calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
0calc.
Heavy atoms
13calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.54calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc2c(c1)CCCC2

c1ccc2c(c1)CCCC2

2 rings, 10 atoms, the Tetralin ring system.

4,523 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS classification
Hazard pictograms
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H411Toxic to aquatic life with long lasting effects.
Precautionary statements (3)
  • P273Avoid release to the environment.
  • P391Collect spillage.
  • 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

alpha-Ionene suppliers

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Where suppliers are based

1 supplier in 1 country

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alpha-Ionene 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

Roles

  • metabolite

Functional uses

  • Flavouring and nutrient

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code alpha-Ionene is traded under.

HS 2902.90Indicative HS code

Cyclic hydrocarbons, other

World exports in 2024
$612M
−6.1% vs 2023, imports $670M
2019 to 2024
Top exporters
  1. China28.0%
  2. Germany13.9%
  3. India * partner reported12.6%
Top importers
  1. Germany11.1%
  2. United States10.6%
  3. South Korea8.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about alpha-Ionene, based on the data on this page

What is alpha-Ionene?

1,1,6-trimethyltetralin is a member of the class of tetralins that is tetralin substituted by methyl groups at positions 1, 1 and 6 respectively. It has a role as a metabolite. It is an ortho-fused bicyclic hydrocarbon and a member of tetralins. It derives from a hydride of a tetralin.

What is the CAS number of alpha-Ionene?

The CAS registry number of alpha-Ionene is 475-03-6.

What is the molecular formula and weight of alpha-Ionene?

The molecular formula of alpha-Ionene is C13H18 and its molar mass is 174.29 g/mol.

What is alpha-Ionene used for?

Known uses and roles of alpha-Ionene include metabolite and flavouring and nutrient.

Is alpha-Ionene hazardous?

alpha-Ionene has a GHS hazard classification. Main hazards: toxic to aquatic life with long lasting effects. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of alpha-Ionene?

alpha-Ionene is usually classified under HS code 290290 (Cyclic hydrocarbons, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy alpha-Ionene?

CompoundList lists 1 supplier of alpha-Ionene in Germany. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of alpha-Ionene?

Suppliers quote alpha-Ionene 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 alpha-Ionene

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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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