Gamma-valerolactone is a butan-4-olide that is dihydrofuran-2(3H)-one substituted by a methyl group at position 5.
Definition
Gamma-valerolactone is a butan-4-olide that is dihydrofuran-2(3H)-one substituted by a methyl group at position 5. It has been found in the urine samples of humans exposed to n-hexane. It has a role as a flavouring agent and a human xenobiotic metabolite.
Source: PubChem
US FDA substance register · UNII O7056XK37X · registered name .GAMMA.-VALEROLACTONE · 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
- 108-29-2
- EC No.EU chemical inventory number
- 203-569-5
- DTXSIDUS EPA chemical ID
- DTXSID0047618
- DTXCIDUS EPA compound ID
- DTXCID8027618
- IUPAC
- 5-Methyloxolan-2-one
- Molecular formula
- C5H8O2
- Molecular weight
- 100.117 g/mol
Measured properties
- Appearance
- Gamma-valerolactone is a clear, colorless, mobile liquid. pH (anhydrous): 7.0. pH (10% solution in distilled water): 4.2. (NTP, 1992) · Colorless liquid, [CAMEO]
- Boiling point
- 405 to 406 °F at 760 mmHg (NTP, 1992) · 207.00 to 208.00 °C. @ 760.00 mm Hg
- Melting point
- -24 °F (NTP, 1992) · -31 °C
- Solubility
- greater than or equal to 100 mg/mL at 72 °F (NTP, 1992) · miscible with alcohol, most fixed oils and water
- Density
- 1.057 at 68 °F (NTP, 1992) - Denser than water, will sink · 1.047-1.054
- Colour
- Clear, colorless, mobile liquid. Heral odor.
- Water solubility
- 93810 ㎎/ℓ
- n-Octanol/water partition coefficient (Kow)
- 0.11
- Molecular weight
- 100.13
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 9 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.
- Fragrance7
- Flavouring and nutrient2
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
1 skin studies and 0 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 1 studies
- SkinSens1
Skin Sensitization · QSAR Predicted
Source: US EPA CompTox dashboard
Related literature
Linked databases 16
- 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
- Wikipedia · English · Chinese