3-hydroxy-3-methylbut-1-ene is a tertiary alcohol that is 3-methylbut-1-ene carrying a hydroxy substituent at position 3.
Definition
3-hydroxy-3-methylbut-1-ene is a tertiary alcohol that is 3-methylbut-1-ene carrying a hydroxy substituent at position 3. It has a role as a pheromone, a fragrance, an animal metabolite and a plant metabolite. It is a tertiary alcohol and an olefinic compound. It derives from a hydride of a 3-methylbut-1-ene.
Source: PubChem
US FDA substance register · UNII SH64HE46L9 · registered name 3-HYDROXY-3-METHYLBUTENE · 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
- 115-18-4
- EC No.EU chemical inventory number
- 204-068-4
- DTXSIDUS EPA chemical ID
- DTXSID3047471
- DTXCIDUS EPA compound ID
- DTXCID1027471
- IUPAC
- 2-Methylbut-3-en-2-ol
- Molecular formula
- C5H10O
- Molecular weight
- 86.134 g/mol
Measured properties
- Appearance
- Methyl butenol is a colorless liquid. (USCG, 1999) · Colorless liquid, [CAMEO] Colorless liquid with an odor like alcohol, [Alfa Aesar MSDS]
- Boiling point
- 208.4 to 210.2 °F at 760 mmHg (USCG, 1999) · 97.00 to 99.00 °C. @ 760.00 mm Hg
- Melting point
- -28 °C
- Solubility
- 1000 mg/mL · Solubility in water, g/100ml at 20 °C: 19 (good)
- Density
- 0.824 (USCG, 1999) - Less dense than water, will float · 0.8 g/cm³
- Colour
- colourless
- pH
- 9-10 ()
- Melting/freezing point
- -28 ℃
- Initial boiling point and range
- 97 ℃((1 atm))
- Flash point
- 10 ℃
- Upper/lower flammability or explosive limits
- 9.4 / 1.5 %
- Vapour pressure
- 51 ㎜Hg ((25 ℃))
- Vapour density
- 3.0 ()
- Relative density
- 0.824
- n-Octanol/water partition coefficient (Kow)
- 0.66
- Auto-ignition temperature
- 380 ℃
- Molecular weight
- 86.13
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 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.
- Fragrance3
- Flavouring and nutrient2
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
2 skin studies and 2 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 4 studies
- Classification not possible
Skin Sensitization · Screening - Not classified
Skin Irritation · Screening - Category 6.4A (Category 2A)
Eye Irritation · Read Across - Not classified
Eye Irritation · Screening
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
- PubMed
- 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