Isoamylol is an primary alcohol that is butan-1-ol in which a hydrogen at position 3 has been replaced by a methyl group.
Definition
Isoamylol is an primary alcohol that is butan-1-ol in which a hydrogen at position 3 has been replaced by a methyl group. It has a role as an antifungal agent, a Saccharomyces cerevisiae metabolite and a xenobiotic metabolite. It is a volatile organic compound, a primary alcohol and an alkyl alcohol. It derives from a hydride of an isopentane.
Source: PubChem
US FDA substance register · UNII DEM9NIT1J4 · registered name Isoamyl 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
- 123-51-3
- EC No.EU chemical inventory number
- 204-633-5
- DTXSIDUS EPA chemical ID
- DTXSID3025469
- DTXCIDUS EPA compound ID
- DTXCID705469
- IUPAC
- 3-Methylbutan-1-ol
- Molecular formula
- C5H12O
- Molecular weight
- 88.15 g/mol
Measured properties
- Appearance
- Isoamyl alcohol is a colorless liquid with a mild, choking alcohol odor. Less dense than water, soluble in water. Hence floats on water. Produces an irritating vapor. (USCG, 1999) · Dry Powder, Liquid
- Odour
- CHARACTERISTIC, DISAGREEABLE ODOR · Disagreeable odor.
- Boiling point
- 270 °F at 760 mmHg (USCG, 1999) · 132.5 °C
- Melting point
- -179 °F (NIOSH, 2024) · -117.2 °C
- Solubility
- 2 % at 57 °F (NIOSH, 2024) · MISCIBLE WITH ALC, ETHER, BENZENE, CHLOROFORM, PETROLEUM ETHER, GLACIAL ACETIC ACID, OILS
- Density
- 0.81 at 68 °F (USCG, 1999) - Less dense than water, will float · 0.813 @ 15 °C/4 °C
- Colour
- colourless
- Melting/freezing point
- -117 ℃
- Initial boiling point and range
- 132.5 ℃
- Flash point
- 43.5 ℃
- Upper/lower flammability or explosive limits
- 9 / 1.2 %
- Vapour pressure
- 3.3 hPa(25℃)
- Water solubility
- 2.5 g/100㎖(25 ℃)
- Relative density
- 0.81 (15 DEG C/4 DEG C)
- n-Octanol/water partition coefficient (Kow)
- 1.16
- Auto-ignition temperature
- 350 ℃
- Viscosity
- 4.3 cP(25℃)
- Molecular weight
- 88.15
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.
- Flavouring and nutrient4
- Fragrance3
- Flotation agent1
- Solvent1
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
4 skin studies and 5 eye studies are on record.
The studies disagree (the most common conclusion covers 50%), so they do not establish that this ingredient is irritating. These tests are on the raw material itself; irritation at the amount in a finished product is a different question.
See all 9 studies
- Not classified
Skin Irritation · Screening - Classification not possible
Skin Sensitization · Screening - Category 6.3B (Category 3)
Skin Irritation · Read Across - Severe Irritation
skin irritation: in vivo · Screening · other guideline: Federal Register 38, No. 187, s 1500.41, S. 27029 according to - Category 1
Eye Irritation · Screening - Serious eye damage/eye irritation - Category 2
Eye Irritation · Screening - Category 8.3A (Category 1)
Eye Irritation · Read Across - Corrosive or Irritation Persists for > 21 days
eye irritation: in vivo · Screening · other guideline: Federal Register 38, No 187, s 1500.41, S. 27019 (1973) according to - Category 6.4A (Category 2A)
Eye Irritation · Read Across
Source: US EPA CompTox dashboard
Related literature
- Hybrid Process Flow Diagram for Separation of Fusel Oil into Valuable Components · 2024
- Microencapsulation of aroma compounds produced by Pichia fermentans · 2022
- Enzymatic synthesis optimization of isoamyl butyrate from fusel oil · 2021
- RIFM fragrance ingredient safety assessment, isobutyl alcohol, CAS Registry Number 78-83-1. · 2019
- Application of an immobilized Rhizopus oryzae lipase to batch and continuous ester synthesis with a mixture of a lauric acid and fusel oil · 2018
Linked databases 18
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- ChEMBL
- EU CosIng ingredient list 2
- 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
- Tlooto literature search 2 3 4 5
- 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 · Japanese · Chinese