4-Methyl-3-penten-2-one, 9CI is an olefinic compound.
Definition
4-Methyl-3-penten-2-one, 9CI is an olefinic compound. It is functionally related to an acrylic acid.
Source: PubChem
US FDA substance register · UNII 77LAC84669 · registered name Mesityl oxide · single chemical substance
Cosmetic roles
Safety & regulatory references
Not classified under Korea’s toxic-substance GHS list · existing chemical substance
More data — names, identifiers, properties, test records, literature
Names & identifiers
- CAS No.chemical registry number
- 141-79-7
- EC No.EU chemical inventory number
- 205-502-5
- DTXSIDUS EPA chemical ID
- DTXSID1029170
- DTXCIDUS EPA compound ID
- DTXCID209170
- IUPAC
- 4-Methylpent-3-en-2-one
- Molecular formula
- C6H10O
- Molecular weight
- 98.145 g/mol
Measured properties
- Appearance
- Mesityl oxide appears as a colorless, oily liquid with a pungent honey-like odor. Flash point 87 °F. Less dense than water and slightly soluble in water. Vapors heavier than air. Used in paint removers, as a solvent for plastics, and as an insect repellent. · Oily, colorless to light-yellow liquid with a peppermint- or honey-like odor, [NIOSH]
- Odour
- ... spearmint ... · COMMERCIAL GRADE EXHIBITS AN UNPLEASANT ODOR
- Boiling point
- 266 °F at 760 mmHg (USCG, 1999) · 130 °C at 760 mm Hg
- Melting point
- -51 °F (USCG, 1999) · -59 °C
- Solubility
- 3 % (NIOSH, 2024) · Sol in about 30 parts water, miscible with most org liq
- Density
- 0.853 at 68 °F (USCG, 1999) - Less dense than water, will float · 0.8592 at 15 °C/4 °C
- Melting/freezing point
- -59 ℃
- Initial boiling point and range
- 130 ℃
- Flash point
- 25 ℃(101.3 kPa EU Method A.9, GLP)
- Upper/lower flammability or explosive limits
- 7.2 / 1.4 %
- Vapour pressure
- 1.2 ㎪ (20℃)
- Water solubility
- 26.98 (20℃, pH=3.7 (OECD TG , GLP), g/L)
- Vapour density
- 3.4 (air=1)
- Relative density
- 0.8592 (15℃/4℃)
- n-Octanol/water partition coefficient (Kow)
- 1.37
- Auto-ignition temperature
- 335 ℃ (1013 hPa, (EU Method A.15))
- Viscosity
- 0.717 (20.15 °C, (OECD TG 114, GLP))
- Molecular weight
- 98.14
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 8 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.
- Solvent4
- Fragrance2
- Flavouring and nutrient2
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
5 skin studies and 4 eye studies are on record.
The studies disagree (the most common conclusion covers 33%), so they do not establish that this ingredient is irritating. These tests are on the raw material itself; irritation at the amount in a finished product is a different question.
See all 9 studies
- Severe Irritation
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) according to EPA OPPTS 870.2500 (Acute Dermal Irritation) according to EU Method B.4 (Acute Toxicity: Dermal Irritation / Corrosion) according to - Category 6.3B (Category 3)
Skin Irritation · Read Across - Category 2
Skin Irritation · Screening - Classification not possible
Skin Sensitization · Screening - Not likely to be sensitizing
skin sensitisation: in vivo (non-LLNA) · Screening · according to OECD Guideline 406 (Skin Sensitisation) according to EU Method B.6 (Skin Sensitisation) - Serious eye damage/eye irritation - Category 2
Eye Irritation · Screening - Category 2A
Eye Irritation · Screening - Severe Irritation
eye irritation: in vitro / ex vivo · Screening · other guideline: OECD 437 "Bovine Corneal Opacity and Permeability Test Method for Identifying Ocular Corrosives and Severe Irritants (adopted 7 September 2009) according to - Category 8.3A (Category 1)
Eye Irritation · Read Across
Source: US EPA CompTox dashboard
Linked databases 15
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- ChEMBL
- EU CosIng ingredient list 2
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- NIST Chemistry WebBook
- PubChem 2
- 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