Tridecan-2-one is a methyl ketone that is tridecane in which the methylene hydrogens at position 2 are replaced by an oxo group.
Definition
Tridecan-2-one is a methyl ketone that is tridecane in which the methylene hydrogens at position 2 are replaced by an oxo group. It has a role as a flavouring agent and a plant metabolite. It derives from a hydride of a tridecane.
Source: PubChem
US FDA substance register · UNII 5Q35VHX26K · registered name 2-TRIDECANONE · 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
- 593-08-8
- EC No.EU chemical inventory number
- 209-784-0
- DTXSIDUS EPA chemical ID
- DTXSID4022070
- DTXCIDUS EPA compound ID
- DTXCID302070
- IUPAC
- Tridecan-2-one
- Molecular formula
- C13H26O
- Molecular weight
- 198.35 g/mol
Measured properties
- Appearance
- 2-tridecanone is a white crystalline solid. (NTP, 1992) · White solid, [CAMEO] Light yellow crystalline solid, [Aldrich MSDS]
- Boiling point
- 505 °F at 760 mmHg (NTP, 1992) · 134.00 °C. @ 10.00 mm Hg
- Melting point
- 86.1 °F (NTP, 1992) · 29 °C
- Solubility
- less than 1 mg/mL at 73 °F (NTP, 1992) · soluble in alcohol, propylene glycol and oils, insoluble in water
- Density
- 0.8217 at 86 °F (NTP, 1992) - Less dense than water, will float · 0.817-0.823
- Colour
- white
- Melting/freezing point
- 30.5 ℃
- Initial boiling point and range
- 263 ℃
- Flash point
- 83 ℃
- Vapour pressure
- 0.02 ㎜Hg (25℃)
- Water solubility
- 4.530 ㎎/ℓ (25℃)
- Relative density
- 0.822
- n-Octanol/water partition coefficient (Kow)
- 4.68
- Molecular weight
- 198.344
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 5 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.
- Flavouring and nutrient3
- Fragrance2
Source: US EPA CompTox dashboard
Related literature
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
- Tlooto literature search
- 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