3-Isopropoxy-1-propanol (110-48-5) Physical and Chemical Properties
3-Isopropoxy-1-propanol
A low‑molecular‑weight alkoxy alcohol solvent used industrially as a formulation solvent and processing intermediate for coatings, cleaners and specialty chemistries.
| CAS Number | 110-48-5 |
| Family | Alkoxy alcohols (glycol ethers) |
| Typical Form | Colorless liquid |
| Common Grades | EP |
3-Isopropoxy-1-propanol is an aliphatic ether–alcohol in the propylene glycol monoalkyl ether family. Structurally it is a three‑carbon primary alcohol bearing an isopropoxy substituent at the 3‑position; the molecular formula is \(\ce{C6H14O2}\). The molecule contains one hydroxyl group and one alkyl ether linkage, giving it mixed hydrogen‑bonding capability (one donor, two acceptors) combined with an apolar isopropyl terminus. The net result is a small, moderately polar solvent with both protic and aprotic interaction modes.
Electronically the ether oxygen and the hydroxyl group localize lone pairs that confer moderate Lewis basicity and polarity but no formal charge. The absence of aromatic or strongly electron‑withdrawing groups makes the molecule relatively resistant to electrophilic aromatic‑type processes; the primary alcohol can undergo standard alcohol chemistry (oxidation, esterification) and the ether linkage is stable under neutral conditions but susceptible to acid‑catalyzed cleavage. As a solvent class member, it exhibits intermediate lipophilicity with limited but useful water miscibility and desirable solvency for moderately polar organics.
Common commercial grades reported for this substance include: EP.
Basic Physical Properties
Density
No experimentally established value for this property is available in the current data context.
Qualitative note: as a low‑molecular‑weight aliphatic ether–alcohol, bulk density at ambient conditions is expected to be near, but typically below, that of water; density will influence phase separation behavior in aqueous mixtures and pump/transfer specifications in process equipment.
Melting Point
No experimentally established value for this property is available in the current data context.
Qualitative note: small glycol ethers and monoalkyl ether alcohols are usually liquids at ambient temperature and have melting points well below 0 °C; freezing behavior is relevant for cold‑climate storage and transport.
Boiling Point
No experimentally established value for this property is available in the current data context.
Qualitative note: boiling behavior for this class is governed by hydrogen bonding and molecular weight; ether–alcohols of this size typically boil in a range compatible with common solvent‑recovery distillation but will form flammable vapor above their flash point.
Vapor Pressure
No experimentally established value for this property is available in the current data context.
Qualitative note: vapor pressure is moderate for low‑molecular‑weight glycol ethers; vapour concentration and ventilation requirements should be assessed during process design and when controlling worker exposure.
Flash Point
No experimentally established value for this property is available in the current data context.
Qualitative note: the substance is categorized as a flammable liquid class; therefore, it should be treated as an ignition‑hazardous material in storage and handling, with appropriate intrinsic safety, grounding and bonding during transfer.
Chemical Properties
Solubility and Phase Behavior
Molecular descriptors: molecular formula \(\ce{C6H14O2}\); molecular weight 118.17 (see Molecular Weight and Formula). Computed descriptors indicate XLogP = 0.6, hydrogen bond donor count = 1, hydrogen bond acceptor count = 2, and topological polar surface area (TPSA) = 29.5 \(\mathrm{Å}^2\). These parameters are consistent with moderate polarity and appreciable affinity for both polar and nonpolar solvents.
Solubility behavior: the combination of one hydroxyl group and one ether oxygen generally confers good compatibility with polar organic solvents and substantial miscibility with water or water‑rich blends for many members of this class. In formulations it commonly acts as a co‑solvent to improve solvency for resins, surfactants and certain active ingredients; phase separation is unlikely in aqueous solutions at typical use concentrations but depends on formulation composition.
Reactivity and Stability
Reactive functional groups present: a primary alcohol and a simple dialkyl ether linkage. The primary alcohol is susceptible to standard alcohol chemistries: esterification under acid catalysis, oxidation to aldehyde/acid under strong oxidants or catalytic systems, and conversion to alkyl halides under appropriate conditions. The ether linkage is fairly stable under neutral and basic conditions but can be cleaved under strong acid (acidic hydrolysis) or by strong nucleophiles in activated systems.
Stability: the molecule is chemically stable under normal storage and handling conditions but is flammable. Peroxide formation is a well‑known concern for certain ether classes; simple alkyl ethers are less prone to peroxide accumulation than highly activated ethers, but routine precautions for storage of ethers (minimizing light, air contact and prolonged storage) are prudent. The GHS classifications reported indicate flammability and irritation hazards: H226 (Flammable liquid and vapor), H315 (Causes skin irritation), H319 (Causes serious eye irritation) and H335 (May cause respiratory irritation); classification entries include Flam. Liq. 3, Skin Irrit. 2, Eye Irrit. 2A and STOT SE 3.
Thermodynamic Data
Standard Enthalpies and Heat Capacity
No experimentally established value for this property is available in the current data context.
Qualitative note: heat capacity and standard enthalpy of formation for small alcohols and ethers scale with molecular weight and functionalization; these thermodynamic quantities are relevant to process heat‑integration and safety‑relief sizing and should be obtained from product‑specific technical data when required.
Molecular Parameters
Molecular Weight and Formula
- Molecular formula: \(\ce{C6H14O2}\)
- Molecular weight: 118.17 (\(\mathrm{g}\,\mathrm{mol}^{-1}\))
- Exact mass / Monoisotopic mass: 118.099379685
These values are appropriate for stoichiometry calculations, formulation batching and mass‑balance accounting.
LogP and Polarity
- XLogP3 (XLogP): 0.6
- Topological polar surface area (TPSA): 29.5 \(\mathrm{Å}^2\)
- Hydrogen bond donor count: 1
- Hydrogen bond acceptor count: 2
- Rotatable bond count: 4
Interpretation: XLogP = 0.6 indicates limited lipophilicity and a tendency to partition modestly into organic phases while maintaining appreciable aqueous solubility. TPSA and hydrogen‑bonding counts are consistent with good solvency for polar organics and a capacity to engage in hydrogen‑bonding interactions with biological macromolecules; this profile explains its use as a solvent/co‑solvent in formulations.
Structural Features
IUPAC name (computed): 3‑propan-2-yloxypropan-1-ol. The structure consists of a propan‑1‑ol backbone with an isopropoxy substituent at the 3‑position; this creates a terminal primary alcohol and an internal ether linkage. The compound is aliphatic and acyclic with no defined stereocenters (defined atom stereocenter count = 0). The molecular topology (four rotatable bonds) imparts conformational flexibility that affects solvency and interactions in mixed solvent systems.
Identifiers and Synonyms
Registry Numbers and Codes
- CAS Registry Number: 110-48-5
- EC Number: 186-224-0
- UNII: 3NEA8L5L2Z
- DSSTox Substance ID: DTXSID10149090
- InChI:
InChI=1S/C6H14O2/c1-6(2)8-5-3-4-7/h6-7H,3-5H2,1-2H3 - InChIKey:
GBSGXZBOFKJGMG-UHFFFAOYSA-N - SMILES:
CC(C)OCCCO
Provide registry identifiers in procurement, shipping documentation and quality‑control traceability.
Synonyms and Structural Names
Known synonyms and alternative names (selected from supplied identifiers): - 3-Isopropoxy-1-propanol - 1-Propanol, 3-isopropoxy- - Propylene glycol isopropyl ether - 3-propan-2-yloxypropan-1-ol - Isopropoxypropanol - Propylene glycol monoisopropyl ether - 3-(1-METHYLETHOXY)-1-PROPANOL - Dowanol pip
These synonyms may appear on supplier labels, safety documents and regulatory filings; confirm identity by CAS or InChIKey when matching material specifications.
Industrial and Commercial Applications
Representative Uses and Industry Sectors
As a member of the propylene glycol monoether family, 3‑isopropoxy‑1‑propanol is used primarily as a solvent and co‑solvent in industrial formulations. Typical application sectors include coatings and inks, cleaning formulations, adhesives and sealants, and specialty chemical synthesis where moderate polarity and low‑to‑moderate volatility are required. It can serve as a processing solvent for resins and as a carrier for active ingredients that require both polar and nonpolar solvation.
If a concise application summary is not available for a specific commercial offering, selection is typically driven by solvency profile, volatility, compatibility with formulation components and regulatory/occupational constraints.
Role in Synthesis or Formulations
The compound functions principally as a diluent, co‑solvent or reaction medium. Its primary alcohol can participate in derivatization reactions (e.g., esterification) to produce more hydrophobic or lipophilic derivatives. Formulators exploit its balance of hydrogen‑bonding capacity and hydrophobic character to improve wetting, solvency and drying behavior in multicomponent systems.
Safety and Handling Overview
Acute and Occupational Toxicity
Hazard classifications and statements associated with this substance include: H226 (Flammable liquid and vapor), H315 (Causes skin irritation), H319 (Causes serious eye irritation) and H335 (May cause respiratory irritation). The signal word reported is "Warning", and classifications recorded include Flam. Liq. 3, Skin Irrit. 2, Eye Irrit. 2A and STOT SE 3.
Occupational control measures: minimize inhalation of vapors or mists through adequate ventilation (local exhaust where tasks generate aerosols), use of appropriate eye/face and skin protection, and respiratory protection when engineering controls do not maintain exposures below acceptable limits. Avoid prolonged or repeated skin contact. Do not ingest. Do not breathe vapors.
For hazard‑specific recommendations and exposure limits applicable to the workplace, consult the product‑specific Safety Data Sheet (SDS) and local occupational exposure standards.
Storage and Handling Considerations
Storage: store in a cool, well‑ventilated area away from ignition sources and oxidizing materials. Use grounded and bonded equipment for transfers to reduce electrostatic risk. Keep containers tightly closed and protected from moisture and sunlight.
Handling: implement basic flammable‑liquid controls—intrinsically safe electrical equipment, elimination of open flames, and use of appropriate drum‑handling and transfer procedures. Avoid contact with strong acids that can catalyze ether cleavage; keep away from strong oxidizing agents.
Spills and disposal: contain and recover where possible; absorb residuals with inert absorbents and collect for approved disposal. Prevent product entering drains or waterways. For detailed hazard, transport and regulatory information, users should refer to the product‑specific Safety Data Sheet (SDS) and local legislation.
