Isobutanol is an alkyl alcohol that is propan-1-ol substituted by a methyl group at position 2.
Definition
Isobutanol is an alkyl alcohol that is propan-1-ol substituted by a methyl group at position 2. It has a role as a Saccharomyces cerevisiae metabolite. It is a primary alcohol and an alkyl alcohol. It derives from a hydride of an isobutane.
Source: PubChem
US FDA substance register · UNII 56F9Z98TEM · registered name ISOBUTYL 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
- 78-83-1
- EC No.EU chemical inventory number
- 201-148-0
- DTXSIDUS EPA chemical ID
- DTXSID0021759
- DTXCIDUS EPA compound ID
- DTXCID601759
- IUPAC
- 2-Methylpropan-1-ol
- Molecular formula
- C4H10O
- Molecular weight
- 74.123 g/mol
Measured properties
- Appearance
- Isobutanol appears as a clear colorless liquid with a sweet odor. Flash point 85 - 100 °F. Less dense than water. Vapors heavier than air. · CBI, Liquid
- Odour
- Sweet, musty odor · Odor like that of amyl alcohol, but weaker
- Boiling point
- 225 °F at 760 mmHg (NTP, 1992) · 108 °C
- Melting point
- -162 °F (NTP, 1992) · -108 °C
- Solubility
- 50 to 100 mg/mL at 61 °F (NTP, 1992) · In water, 66.5-90.9 g/L at 25 °C
- Colour
- colourless
- Melting/freezing point
- -108 ℃
- Initial boiling point and range
- 108 ℃
- Flash point
- 28 ℃(c.c.)
- Upper/lower flammability or explosive limits
- 10.9 / 1.7 %
- Vapour pressure
- 1.2 ㎪(20℃)
- Water solubility
- 8.7 g/100㎖(20℃)
- Relative density
- 0.8
- n-Octanol/water partition coefficient (Kow)
- 0.8
- Auto-ignition temperature
- 415 ℃
- Viscosity
- 4 cP(15℃)
- Molecular weight
- 74.12
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 45 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.
- Solvent15
- No specific technical function7
- Fuel4
- Fragrance3
- Flavouring and nutrient2
- Intermediate2
- Processing aids not otherwise specified2
- Fuel agents2
8 other uses
- Surfactant (surface active agent)1
- Plasticizer1
- Corrosion inhibitor1
- Monomers1
- Adhesion/cohesion promoter1
- Wetting agent (non-aqueous)1
- Conductive agent1
- Sealant (barrier)1
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
11 skin studies and 10 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 21 studies
- Category 6.3B (Category 3)
Skin Irritation · Read Across - Skin corrosion/irritation - Category 2
Skin Irritation · Screening - Moderate or Mild Irritation
skin irritation: in vivo · Screening · EPA OTS 798.4470 (Acute Dermal Irritation) according to OECD Guideline 404 (Acute Dermal Irritation / Corrosion) according to - Studies Indicate No Significant Irritation
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) according to - Studies Indicate No Significant Irritation
skin irritation: in vivo · Screening · other guideline: Federal Register 38, No. 187, s 1500.41, p. 27019 according to - Skin Irrit. 2
Skin Irritation · Authoritative - Corrosive
skin irritation: in vivo · Screening · other guideline: Title 49 - Transportation Chapter 1 - Hazardous Materials Regulations Board Department of Transportation Amended s1500,41 to provide a quantitative definition for corrosive materials by utilization of a 4-hr exposure time and nonabraded skin, in the rabb according to - Severe Irritation
skin irritation: in vivo · Screening · other guideline: Code of Federal Regulations, Title 16, Section 1500.41 according to - Skin Irrit. 2
Skin Irritation · Screening - Classification not possible
Skin Sensitization · Screening - Category 2
Skin Irritation · Screening - Corrosive or Irritation Persists for > 21 days
eye irritation: in vivo · Screening · other guideline: Federal register 38, No. 187, s 1500.42, p. 27019 according to - Category 6.4A (Category 2A)
Eye Irritation · Read Across - Corrosive or Irritation Persists for > 21 days
eye irritation: in vivo · Screening · other guideline: Code of Federal Regulations, Title 16, Section 1500.42 according to - Serious eye damage/eye irritation - Category 2A
Eye Irritation · Screening - Eye Dam. 1
Eye Irritation · Authoritative - Eye Dam. 1
Eye Irritation · Screening - Severe Irritation
eye irritation: in vivo · Screening · EPA OTS 798.4500 (Acute Eye Irritation) according to OECD Guideline 405 (Acute Eye Irritation / Corrosion) according to - Corrosive or Irritation Persists for > 21 days
eye irritation: in vivo · Screening · OECD Guideline 405 (Acute Eye Irritation / Corrosion) according to - Severe Irritation
eye irritation: in vivo · Screening · OECD Guideline 405 (Acute Eye Irritation / Corrosion) according to - Category 1
Eye Irritation · Screening
Source: US EPA CompTox dashboard
Related literature
- Distinguishing between maternally-mediated and directly embryotoxic modes-of-action for postimplantation loss induced in rats by 2-amino-2-methylpropanol. · 2014 · Reproductive toxicology (Elmsford, N.Y.)
- Substrate specificity of human cutaneous alcohol dehydrogenase and erythema provoked by lower aliphatic alcohols. · 1987 · The Journal of investigative dermatology
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
- PubMed 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 · Korean · English · Japanese · Chinese