Basic information
- CAS
3973-18-0- Standard SMILES
C#CCOCCO- InChIKey
GHGCQQRMJCSIBQ-UHFFFAOYSA-N- Molecular formula
- C5H8O2
- Average molar mass
- 100.12 g/mol
- Monoisotopic mass
- 100.05242949
Names & identifiers
- Preferred name
- 2-Propynoxyethanol
- IUPAC
- 2-prop-2-ynoxyethanol
- English name
- Propynol ethoxylate
- Molecular formula
- C5H8O2
- Molecular weight
- 100.12
Names & synonyms
Show more names
Database identifiers
- CAS
3973-18-0- PubChem CID
- 77596
- DTXSID
DTXSID9044665- UNII
- 2EQ7D0F9DR
- EC Number
- 223-601-1
- Nikkaji
- J113.065J
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 69
Physicochemical properties
- Boiling point
- 80 · 80-90 °C(Press: 12-14 Torr)
- Density
- 1.0261 · 1.0261
- refractive index
- 1.4502 · 1.4502
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- Chloroform (Sparingly), Ethyl Acetate (Slightly)
- form
- Oil
- pka
- 14.22 · 14.22±0.10(Predicted)
- color
- Colourless to Pale Yellow
- Stability
- Light Sensitive
- InChI
- InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2
- InChIKey
- GHGCQQRMJCSIBQ-UHFFFAOYSA-N
- SMILES
- C(O)COCC#C
- CAS DataBase Reference
- 3973 · 3973-18-0(CAS DataBase Reference)
- FDA UNII
- 2 EQ7D0F9DR · 2EQ7D0F9DR
- EPA Substance Registry System
- 2 · Ethanol, 2-(2-propynyloxy)- (3973-18-0)
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P362+P364
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- WGK Germany
- 1 · WGK 1
- TSCA
- TSCA listed
- HS Code
- 2909498090 · 2909498090
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 6.1% (10 of 163) of reports.
Danger
H302 (81%): Harmful if swallowed [Warning Acute toxicity, oral];H318 (64.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (29.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H330 (64.4%): Fatal if inhaled [Danger Acute toxicity, inhalation];H332 (13.5%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (65.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H361f (64.4%): Suspected of damaging fertility [Warning Reproductive toxicity];H373 (64.4%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P203, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P320, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 163 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 10 of 163 reports by companies.;There are 8 notifications provided by 153 of 163 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Ethanol, 2-(2-propynyloxy)-
Ethanol, 2-(2-propynyloxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Regulatory information
Regulatory Information
Chemical: Ethanol, 2-(2-propynyloxy)-
Ethanol, 2-(2-propynyloxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- wgk
- WGK 1
- tsca
- TSCA listed
- hs_code
- 2909498090
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352-P362+P364
Chemistry & industry
Uses & manufacturing
Applications
DescriptionPropargyl-PEG2-alcohol has propargyl and alcohol end groups. The propargyl can participate in copper-catalyzed Click Chemistry reactions with azides.
UsesPropynol Ethoxylate is an intermediate and it is shown to be used in the design and synthesis of a tag-free chemical probe for photoafiinity labeling.
General DescriptionPropynol ethoxylate, known as 2-propyn-1-ol, is a colourless flammable liquid with a pleasant odour. This volatile organic compound (VOC) occurs naturally in plants and animals and can also be synthesised in a laboratory environment. Propargyl alcohol polyoxyethylene ether has a wide range of applications and plays an important role in scientific research and industrial processes. It is used as a fuel, solvent and reagent in chemical reactions, as well as an important ingredient in the manufacture of many pharmaceuticals and industrial products. In scientific research, it is used as a reagent in organic synthesis, as a solvent in analytical chemistry and as a fuel in combustion studies.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
Related reactions
Compound notes
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