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Basic information
- CAS
584-02-1- Standard SMILES
CCC(O)CC- InChIKey
AQIXEPGDORPWBJ-UHFFFAOYSA-N- Molecular formula
- C5H12O
- Average molar mass
- 88.15 g/mol
- Monoisotopic mass
- 88.088815
Overview
Pentan-3-ol is a secondary alcohol that is pentane substituted by a hydroxy group at position 3. It is produced by plants and is a component of emitted insect sex pheromones. It has a role as a pheromone, a biomarker, a fuel additive and a plant metabolite. It is a pentanol and a secondary alcohol.
Names & identifiers
- Preferred name
- 3-Pentanol
- IUPAC
- pentan-3-ol
Names & synonyms
3-PENTANOL584-02-1Pentan-3-olDiethyl carbinolPentanol-33-Pentyl alcohol1-Ethyl-1-propanolNSC 8654MFCD00004574(C2H5)2CHOHX4ELC182I5NSC-8654
Show more names
3-Pentyl--d5 AlcoholDiethylcarbinolEINECS 209-526-7BRN 1730964UNII-X4ELC182I5AI3-243353-Pentanol, 98%3-PENTANOL [MI]
Database identifiers
- CAS
584-02-1- PubChem CID
- 11428
- DTXSID
DTXSID8060400- ChEMBL
CHEMBL47100- ChEBI
CHEBI:77519- UNII
- X4ELC182I5
- EC Number
- 209-526-7
- Nikkaji
- J2.675A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 23.1
Experimental & physicochemical properties
Chemical ClassesFlammable agents - 2nd degree
SolventsSolvents -> Alcohols (<C12)
SpringerMaterials PropertiesBoiling point
LogP
1.21
1.21
DensityRelative density (water = 1): 0.8
Flavoring AgentsEU Flavoring substances
Viscosity8.13 mm²/s at 20 °C
SolubilitySolubility in water, g/100ml at 30 °C: 5.5 (moderate)
Flash Point30 °C c.c.
Boiling Point116 °C
Melting Point-8 °C
Vapor DensityRelative vapor density (air = 1): 3
Safety & regulation
GHS classification
GHS Classification
Warning
H226: Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: 3-Pentanol
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
3-Pentanol: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Fire HazardsFlammable. Heating will cause rise in pressure with risk of bursting. Above 30 °C explosive vapour/air mixtures may be formed.
Hazards Summary
An irritant and narcotic; [Merck Index] A skin, eye, and respiratory tract irritant; ingestion can lead to aspiration into lungs resulting in chemical pneumonitis; May have CNS effects causing unconsciousness; Can be absorbed through skin; [ICSC] An irritant; Harmful by inhalation; [Alfa Aesar MSDS]
EC ClassificationSymbol: Xn; R: 10-20-37/38; S: (1/2)-36/37-46
UN ClassificationUN Hazard Class: 3; UN Pack Group: III
Chemical DangersReacts violently with oxidants.
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flammable liquid - category 3
Flammable agents - 2nd degree
Flam. Liq. 3
Explosive Limits and PotentialExplosive limits , vol% in air: 1.2-10.5
Safety & protection
Fire FightingUse alcohol-resistant foam, powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
First Aid Measures
Fresh air, rest. Refer for medical attention.
Remove contaminated clothes. Rinse skin with plenty of water or shower. Seek medical attention if you feel unwell.
Rinse with plenty of water (remove contact lenses if easily possible). Refer for medical attention.
Rinse mouth. Do NOT induce vomiting. Refer immediately for medical attention.
Safe StorageFireproof. Separated from strong oxidants.
Exposure Control and Personal Protection20.0 [ppm]
Spillage Disposal
Remove all ignition sources. Personal protection: filter respirator for organic gases and particulates adapted to the airborne concentration of the substance. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
Eye PreventionWear safety spectacles or eye protection in combination with breathing protection.
Fire PreventionNO open flames, NO sparks and NO smoking. Above 30 °C use a closed system, ventilation and explosion-proof electrical equipment.
Inhalation RiskA harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.
Skin PreventionProtective gloves.
Exposure PreventionPREVENT GENERATION OF MISTS!
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse ventilation, local exhaust or breathing protection.
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesThe substance can be absorbed into the body by inhalation, through the skin and by ingestion.
Signs and Symptoms
Cough. Sore throat. Headache. Nausea. Dizziness. Drowsiness. Unconsciousness.
Redness.
Redness. Pain. Temporary loss of vision.
Abdominal pain. Burning sensation in the throat and chest. Further see Inhalation.
Chemistry & industry
Uses & manufacturing
UsesUsed as a flotation agent and solvent in organic synthesis; [Merck Index]
General Manufacturing Information3-Pentanol: ACTIVE
Related reactions
125 records
Compound notes
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