2-methyl-4-phenyl-2-butanol is a tertiary alcohol that is benzene substituted by a 3-hydroxy-3-methylbutyl group.
Definition
2-methyl-4-phenyl-2-butanol is a tertiary alcohol that is benzene substituted by a 3-hydroxy-3-methylbutyl group. It has a role as a flavouring agent and a fragrance. It is a member of benzenes and a tertiary alcohol.
Source: PubChem
US FDA substance register · UNII 9Y5UX90TZ4 · registered name 2-METHYL-4-PHENYL-2-BUTANOL · single chemical substance
Cosmetic roles
Safety & regulatory references
Not classified under Korea’s toxic-substance GHS list · existing chemical substance
Other restriction: ban substances that deplete the ozone layer
Source: EU CosIng ingredient list
More data — names, identifiers, properties, test records, literature
Official labels & definitions
JCIA labelling name メチルフェニルブタノール: 本品は、次の化学式で表される芳香環を有する脂肪族分岐アルコールである。
Source: JCIA labelling names (Japan)
Names & identifiers
- CAS No.chemical registry number
- 103-05-9
- EC No.EU chemical inventory number
- 203-074-4
- DTXSIDUS EPA chemical ID
- DTXSID3021851
- DTXCIDUS EPA compound ID
- DTXCID601851
- IUPAC
- 2-Methyl-4-phenylbutan-2-ol
- Molecular formula
- C11H16O
- Molecular weight
- 164.248 g/mol
Measured properties
- Appearance
- Solid · Colourless liquid, Lily, rose sweetness aroma
- Boiling point
- 144 °C (85 mm Hg)
- Melting point
- 29 - 30 °C
- Solubility
- Soluble in fats, Slightly soluble in water · Soluble (in ethanol)
- Density
- 0.960-0.966
- Melting/freezing point
- 24.5 ℃
- Initial boiling point and range
- 121 ℃(13)
- Flash point
- 107 ℃
- Vapour pressure
- 0.1 ㎜Hg (25)
- Relative density
- 0.9626 (21)
- n-Octanol/water partition coefficient (Kow)
- 2.930
- Molecular weight
- 164.244
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 33 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.
- Fragrance30
- Flavouring and nutrient2
- 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 likely to be sensitizing
skin sensitisation: in vivo (LLNA) · Screening · according to OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay) - Studies Indicate No Significant Irritation
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) equivalent or similar to - Ambiguous
eye irritation: in vitro / ex vivo · Screening · other guideline: OECD Guideline 438 (Isolated Chicken Eye Test Method for Identifying i) Chemicals Inducing Serious Eye Damage and ii) Chemicals Not Requiring Classification for Eye Irritation or Serious Eye Damage) according to
Source: US EPA CompTox dashboard
Linked databases 18
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- ChEMBL
- China inventory of existing ingredients (IECIC)
- EU CosIng ingredient list 2
- JCIA labelling names (Japan)
- Korea Cosmetic Association ingredient dictionary
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- MFDS (Korea) cosmetic ingredient register 2
- 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