3-Hydroxybutanal
Also known as Aldol, 3-Hydroxybutyraldehyde, Butanal, 3-hydroxy-
Key facts
What buyers check first
- Appearance
- Clear, white-to-yellow syrupy liquid
- Boiling point
- Ca. 83
- Density
- 1.103 g/cm³ at 20 °C
- Flash point
- 66 °C
- Solubility
- Miscible with water /1.00 × 10⁺⁶ mg/L/
- HS code
- 291249
- Category
- Aldehydes and ketones
- UN number
- UN 2839
What is 3-Hydroxybutanal?
Plain description, key identifiers and synonyms
Aldol appears as a clear white to yellow syrupy liquid. Denser than water. Contact may irritate skin and eyes. Moderately toxic by ingestion, inhalation and skin absorption.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 3-hydroxybutanal
- CAS number
- 107-89-1 CAS number cross-checked
- EC number
- 203-530-2
- Molecular formula
- C4H8O2
- UNII
- 8C6G962B53
- InChIKey
- HSJKGGMUJITCBW-UHFFFAOYSA-N
- InChI
- InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3
- SMILES (canonical and isomeric)
- CC(CC=O)O
Synonyms
- Aldol
- 3-Hydroxybutyraldehyde
- Butanal, 3-hydroxy-
- Oxybutanal
- 3-Butanolal
- Acetaldol
- beta-Hydroxybutyraldehyde
- Oxybutyric aldehyde
- Butyraldehyde, 3-hydroxy-
- Aldol-Reaktion
- Aldol, AldrichCPR
- UN 2839
- AldolDISCONTINUED. Can be prepared (and used without isolation) from H824630. Please see Journal of Organic Chemistry, 1988, 53, 4175-4181.
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
| Appearance | Clear, white-to-yellow syrupy liquidexp.Measured value |
|---|---|
| Boiling point | Ca. 83exp.Measured value |
| Density | 1.103 g/cm³ at 20 °Cexp.Measured value |
| Flash point | 66 °Cexp.Measured value |
| Autoignition temperature | 250 °Cexp.Measured value |
| Solubility | Miscible with water /1.00 × 10⁺⁶ mg/L/exp.Measured value |
| Vapour pressure | 21 mm Hg at 20 °Cexp.Measured value |
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 88.11 g/molcalc.Computed value |
|---|---|
| Exact mass | 88.0524 Dacalc.Computed value |
| LogP (octanol/water) | -0.04calc.Computed value |
| Topological polar surface area | 37.3 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 2calc.Computed value |
| Rotatable bonds | 2calc.Computed value |
| Heavy atoms | 6calc.Computed value |
| Rings | 0calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.75calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H310Fatal in contact with skin.
- H311Toxic in contact with skin.
- H319Causes serious eye irritation.
Precautionary statements (13)
- P262Do not get in eyes, on skin, or on clothing.
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P270Do not eat, drink or smoke when using this product.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P302 + P352If on skin: Wash with plenty of water.
- P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P316Get emergency medical help immediately.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P337 + P317If eye irritation persists: Get medical help.
- P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
- UN number
- UN 2839
- Transport hazard class
- 6.1
- Packing group
- II
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aid3-Hydroxybutanal suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- United States, Naperville ManufacturerUnclaimed profile3-HydroxybutanalGrade, purity and minimum order on requestPrice on request
- China, ChangzhouUnclaimed profile3-HydroxybutanalGrade, purity and minimum order on requestPrice on request
- China, NanjingUnclaimed profile3-HydroxybutanalGrade, purity and minimum order on requestPrice on request
- Hong Kong, Hong KongUnclaimed profile3-HydroxybutanalGrade, purity and minimum order on requestPrice on request
- China, HangzhouUnclaimed profile3-HydroxybutanalGrade, purity and minimum order on requestPrice on request
- China, NanjingUnclaimed profile3-HydroxybutanalGrade, purity and minimum order on requestPrice on request
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6 suppliers in 3 countries
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3-Hydroxybutanal price
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Uses and applications
What the substance is used for, by industry and function
Manufacture of rubber vulcanizers.
Synthesis of rubber accelerators and age resisters, perfumery, engraving, ore flotation, solvent, solvent mixtures for cellulose acetate, fungicides, organic synthesis, printer's rollers, cadmium plating, dyes, drugs, dyeing assistant, synthetic polymers.
Acetaldol is used primarily for the preparation of crotonaldehyde. ... also for the manufacture of substituted quinaldines which, in turn, are valuable starting materials for dyes and pigments.
Industries and functions
How it is made
In the presence of dilute sodium or potassium hydroxide solutions, acetaldehyde is converted to the aldol over a period of several hours in a water-cooled flow tube at 20-25 °C. In order to avoid side and secondary reactions, which would result in appreciable resin formation, the reaction is stopped by adding phosphoric or acetic acid when acetaldehyde conversion has reached 60%. After the unconverted acetaldehyde is separated, a bottom product is obtained that, apart from small amounts of byproducts such as crotonaldehyde, consists of 72-73 wt% acetaldol and ca. 18 wt% water.
Manufactured by condensation of acetaldehyde in aqueous NaOH.
Alheritiere, Gobron, United States of America patent 2713598 (1955 to Usines de Melle).
Regulatory status
Inventories, regulations and trade controls that list this substance
United States
- TSCA inventory (USA)Status: Active in US commerce
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code 3-Hydroxybutanal is traded under.
Aldehyde-alcohols, aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen…
- China16.0%
- United States15.7%
- India * partner reported9.6%
* Partner reported figures, a lower bound.
The HS code shown for 3-Hydroxybutanal is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
Same formula isomers
Different compounds that share this molecular formula
Frequently asked questions
Quick answers about 3-Hydroxybutanal, based on the data on this page
What is 3-Hydroxybutanal?
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What is 3-Hydroxybutanal used for?
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Guides for buyers
Practical guides that help when you source, ship or handle 3-Hydroxybutanal
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, Trade and logisticsShipping dangerous goods: UN numbers, classes and packing groupsHow the UN dangerous goods system works for chemicals, from the nine classes and UN numbers to packing groups, UN packaging marks, labels, documents and segregation.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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