Molekula

4-tert-Butyl-2,6-dinitro-3-methoxytoluene

SKU 10479296 CAS 83-66-9 C12H16N2O5 MW 268.27 Available on enquiry

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4-*tert*-Butyl-2,6-dinitro-3-methoxytoluene (CAS 83-66-9), also known as musk ambrette, is a synthetic nitro musk used as a musk odorant in fragrances, and formerly in cosmetics and flavors. It appears as a pale yellow crystalline solid with a molecular weight of 268.27 g/mol (C12H16N2O5). Store at ambient conditions, but handle with caution—it carries a **Warning** signal for potential hazards. Molekula supplies 4-*tert*-butyl-2,6-dinitro-3-methoxytoluene from research to bulk quantities with full documentation and ISO 9001:2015 traceability.

This substance is available from Molekula on enquiry. Full specification, Safety Data Sheet and Certificate of Analysis documentation are provided with your quotation once our team confirms the grade and pack size you need.

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Overview

SKU: 10479296
CAS Number: 83-66-9
IUPAC Name: 1-tert-butyl-2-methoxy-4-methyl-3,5-dinitrobenzene
EC Number: 201-493-7
Molecular Formula: C12H16N2O5
Molecular Weight: 268.27
Exact Mass: 268.1059
SMILES: CC1=C(C=C(C(=C1[N+](=O)[O-])OC)C(C)(C)C)[N+](=O)[O-]
InChIKey: SUAUILGSCPYJCS-UHFFFAOYSA-N
InChI: InChI=1S/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3
PubChem CID: 6753

Synonyms

2,6-Dinitro-3-methoxy-4-tert-butyltoluene
6-tert-Butyl-3-methyl-2,4-dinitroanisole
Amber musk
Ambrette musk
Anisole, 6-tert-butyl-3-methyl-2,4-dinitro-
Artificial musk ambrette
Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-3,5-dinitro-
MUSK AMBRETTE
Musk ambrette (artificial)
Synthetic musk ambrette

Literature values

Published physical properties of the substance, not batch specifications.

Odour: Sweet, heavy floral-musky odor
Melting Point: 85 °C
Boiling Point: 185 °C at 16 mmHg
Solubility (other solvents): Slightly soluble in ethanol; soluble in ethyl ether, chloroform
Vapour Pressure: 0.0000131 mmHg
log P (octanol/water): 4

Source: PubChem CID 6753 (HSDB, Haz-Map)

Frequently asked questions

What is 4-tert-Butyl-2,6-dinitro-3-methoxytoluene commonly used for?

This compound, known as musk ambrette, is a synthetic nitro musk used as a musk odorant in fragrances, and formerly in cosmetics and flavors. Its use in cosmetic products has since been restricted or prohibited in many jurisdictions.

What is the molecular formula and molecular weight of this product?

The molecular formula is **C12H16N2O5**, and the molecular weight is **268.27 g/mol**.

How should this chemical be stored?

Store at **ambient temperature** in a cool, dry place, away from incompatible substances and sources of ignition.

What purity grades are available for this product?

Molekula supplies this compound in **technical and reagent grades**, with purity typically ≥97% unless otherwise specified.

Can Molekula supply this product in bulk quantities?

Yes, we offer bulk packaging options—please contact our sales team for custom quantities and pricing.

What documentation comes with an order of this chemical?

Each order includes a **Certificate of Analysis (CoA)**, Material Safety Data Sheet (MSDS), and a packing list.

Related products

Molekula has supplied fine chemicals and biochemicals since 1999, and its facilities are ISO 9001:2015 and ISO 14001:2015 certified. Every dispatched batch is logged with a batch number and matched to a Certificate of Analysis, and Safety Data Sheets are available in five languages.