Musk xylene is a C-nitro compound that is m-xylene bearing three nitro substituents at positions 2, 4 and 6 as well as a tert-butyl group at position 5.
Definition
Musk xylene is a C-nitro compound that is m-xylene bearing three nitro substituents at positions 2, 4 and 6 as well as a tert-butyl group at position 5. It has a role as a fragrance, a carcinogenic agent and an explosive. It is functionally related to a m-xylene and a 1,3,5-trinitrobenzene.
Source: PubChem
US FDA substance register · UNII 1ZAO16GU5K · registered name MUSK XYLENE · single chemical substance
Cosmetic roles
Safety & regulatory references
- Banned
- International fragrance standard (IFRA)
- Restricted
- China · South Korea · United Kingdom
Source: IFRA fragrance standards · ASEAN Cosmetic Directive · EU Cosmetics Regulation · MFDS (Korea) cosmetic regulatory information · UK cosmetics regulations (OPSS)
Argentina · Brazil
- Field of application and/or use : All products, except for products for oral hygiene
- Maximum concentration permitted at final product : a) 1% in fine fragrances. b) 0,4% in eau de toilette c) 0.03% other products
ASEAN
- Field of application and/or use : All cosmetic products, with the exception of oral care products
- Maximum authorised concentration in the finished cosmetic product : (a) 1.0 % in fine fragrance (b) 0.4 % in eau de toilette (c) 0.03 % in other products
European Union
- Product Type, body parts : All cosmetic products, with the exception of oral products
- Maximum concentration in ready for use preparation : (a) 1.0% in fine fragrance (b) 0.4% in eau de toilette (c) 0.03% in other products
Source: MFDS (Korea) cosmetic regulatory information
Not classified under Korea’s toxic-substance GHS list · existing chemical substance · priority-management substance
EU Cosmetics Regulation, Annex III (restricted substances), entry 96 · maximum concentration (a) 1.0% in fine fragrance (b) 0.4% in eau de toilette (c) 0.03% in other products · applies to All cosmetic products, with the exception of oral products Note: 'Due to environmental concerns, musk xylene is included in the authorisation list (Annex IV) of REACH. Musk xylene cannot be placed on the market or used unless authorisation has been granted under REACH’
Restriction III/96 Note: 'Due to environmental concerns, musk xylene is included in the authorisation list (Annex IV) of REACH. Musk xylene cannot be placed on the market or used unless authorisation has been granted under REACH’. · Other restriction: ban substances that deplete the ozone layer
Source: EU CosIng ingredient list
More data — names, identifiers, properties, test records, literature
Names & identifiers
- CAS No.chemical registry number
- 81-15-2
- EC No.EU chemical inventory number
- 201-329-4
- DTXSIDUS EPA chemical ID
- DTXSID1021405
- DTXCIDUS EPA compound ID
- DTXCID901405
- IUPAC
- 1-tert-Butyl-3,5-dimethyl-2,4,6-trinitrobenzene
- Molecular formula
- C12H15N3O6
- Molecular weight
- 297.267 g/mol
Measured properties
- Appearance
- 5-tert-Butyl-2,4,6-trinitro-m-xylene is a white to light-colored crystalline solid. It is insoluble in water and denser than water. Hence sinks in water. Contact may irritate skin, eyes, and mucous membranes. May be toxic by ingestion. Used to make other chemicals. · Plates, needles from alcohol
- Odour
- Strong musk odor · Sweet, musky odor
- Melting point
- 111.5 °C
- Solubility
- In water, 0.15 mg/L at 22 °C · In water, 0.49 mg/L at 25 °C
- Density
- 0.77 g/cu cm
- Melting/freezing point
- 110 ℃
- Vapour pressure
- 0.000000635 ㎜Hg (at 25℃)
- Water solubility
- 0.472 ㎎/ℓ (at 25℃ (est.))
- n-Octanol/water partition coefficient (Kow)
- 4.45
- Molecular weight
- 297.27
Values measured on the substance itself. The KOSHA data are a reference for writing and reviewing safety data sheets, not a specification for a commercial raw material.
Source: PubChem · KOSHA safety data sheets (Korea)
What products actually use it for
What the 2 products reported to the US EPA with this ingredient use it for. Products outside cosmetics are included, so the top few rows are its main uses.
- Fragrance1
- Deodorizer1
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
2 skin studies and 1 eye studies are on record.
The study conclusions largely agree (100%). These tests are on the raw material itself; irritation at the amount in a finished product is a different question.
See all 3 studies
- Not classified
Skin Sensitization · Screening - Classification not possible
Skin Irritation · Screening - Category 2B
Eye Irritation · Screening
Source: US EPA CompTox dashboard
Related literature
- Molecular dynamic simulation reveals the molecular interactions of epidermal growth factor receptor with musk xylene are involved in the carcinogenicity · 2023
- Synthesis of Deuterated Surrogate Standards for the Analysis of Legally Regulated Substances in Cosmetics · 2020
- [Determination of 27 fragrances in cosmetics and perfume raw materials by gas chromatography-mass spectrometry]. · 2019
- Photoallergic potential in the guinea‐pig of the nitromusk perfume ingredients musk ambrette, musk moskene, musk xylene, musk ketone, and musk tibetene · 1988
- SPECTROSCOPIC STUDIES OF CUTANEOUS PHOTOSENSITIZING AGENTS—VI. IDENTIFICATION OF THE FREE RADICALS GENERATED DURING THE PHOTOLYSIS OF MUSK AMBRETTE, MUSK XYLENE AND MUSK KETONE · 1983
Linked databases 23
- ASEAN Cosmetic Directive
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- China inventory of existing ingredients (IECIC)
- EU CosIng ingredient list 2
- EU Cosmetics Regulation
- EU restricted substances (Annex III)
- IARC carcinogen classification
- IFRA fragrance standards
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- MFDS (Korea) cosmetic regulatory information 2 3 4
- NIST Chemistry WebBook
- PubChem 2
- Tlooto literature search 2 3 4 5
- UK cosmetics regulations (OPSS)
- UniChem cross-reference IDs
- US EPA CompTox dashboard 2
- US EPA DSSTox chemical database
- US FDA substance registration (GSRS)
- US FDA Unique Ingredient Identifier (UNII)
- Wikidata
- Wikipedia · English · Japanese · Chinese