2-phenylpropan-2-ol is a tertiary alcohol that is isopropanol in which the hydrogen attached to the carbon bearing the hydroxy group has been replaced by a phenyl group.
Definition
2-phenylpropan-2-ol is a tertiary alcohol that is isopropanol in which the hydrogen attached to the carbon bearing the hydroxy group has been replaced by a phenyl group. It has a role as a Mycoplasma genitalium metabolite and a human xenobiotic metabolite. It is a member of benzyl alcohols and a tertiary alcohol. It derives from a hydride of a cumene.
Source: PubChem
US FDA substance register · UNII JE030BGE05 · registered name .ALPHA.,.ALPHA.-DIMETHYLBENZYL ALCOHOL · 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
- 617-94-7
- EC No.EU chemical inventory number
- 210-539-5
- DTXSIDUS EPA chemical ID
- DTXSID3027247
- DTXCIDUS EPA compound ID
- DTXCID107247
- IUPAC
- 2-Phenylpropan-2-ol
- Molecular formula
- C9H12O
- Molecular weight
- 136.194 g/mol
Measured properties
- Appearance
- CBI, Liquid · Solid, [HSDB] Yellow liquid, mp = 32-34 deg C, [MSDSonline]
- Boiling point
- 202 °C @ 760 MM HG · 202 °C @760 [mm Hg]
- Melting point
- 36 °C
- Solubility
- INSOL IN WATER, SOL IN ETHANOL, ETHER, BENZENE
- Density
- 0.9735 @ 20 °C/4 °C · 0.9735 @ 20°C
- Melting/freezing point
- 36 ℃
- Initial boiling point and range
- 2021.950 ℃
- Flash point
- 170 ℃
- Vapour pressure
- 0.52 ㎜Hg (at 25 ℃)
- Water solubility
- 7140 ㎎/ℓ (at 25 ℃)
- Relative density
- 0.973
- n-Octanol/water partition coefficient (Kow)
- 1.95
- Molecular weight
- 136.19
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 7 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.
- Fragrance2
- Intermediate1
- Hardener1
- Flavouring and nutrient1
- Chemical reaction regulator1
- Solvent1
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
3 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 4 studies
- Classification not possible
Skin Sensitization · Screening - Classification not possible
Skin Irritation · Screening - Category 6.3A (Category 2)
Skin Irritation · Read Across - Classification not possible
Eye Irritation · Screening
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 · Chinese