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2-Ethylhexanol phosphate

PubChem CID
83024
Structure
2-Ethylhexanol phosphate_small.png
Molecular Formula
Synonyms
  • 2-Ethylhexanol phosphate
  • Phosphated 2-ethyl hexanol
  • EINECS 235-741-0
  • 2-Ethylhexanol, phosphate
  • SCHEMBL4760542
Molecular Weight
228.22 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
  • Create:
    2005-08-08
  • Modify:
    2025-01-25

1 Structures

1.1 2D Structure

Chemical Structure Depiction
2-Ethylhexanol phosphate.png

1.2 3D Status

Conformer generation is disallowed since mixture or salt

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-ethylhexan-1-ol;phosphoric acid
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)

2.1.2 InChI

InChI=1S/C8H18O.H3O4P/c1-3-5-6-8(4-2)7-9;1-5(2,3)4/h8-9H,3-7H2,1-2H3;(H3,1,2,3,4)
Computed by InChI 1.0.5 (PubChem release 2019.06.18)

2.1.3 InChIKey

FZQYZMODYSBPES-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)

2.1.4 SMILES

CCCCC(CC)CO.OP(=O)(O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)

2.2 Molecular Formula

C8H21O5P
Computed by PubChem 2.1 (PubChem release 2019.06.18)

2.3 Other Identifiers

2.3.1 CAS

12645-31-7

2.3.2 Deprecated CAS

174756-86-6, 77466-38-7

2.3.3 European Community (EC) Number

2.4 Synonyms

2.4.1 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
228.22 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
4
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
5
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
228.11266076 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
228.11266076 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
98 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
14
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
102
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)

3.2 Experimental Properties

3.2.1 Physical Description

Liquid; Liquid, Other Solid

5 Chemical Vendors

6 Use and Manufacturing

6.1 Uses

6.1.1 Industry Uses

  • Surfactant (surface active agent)
  • Paint additives and coating additives not described by other categories
  • Lubricating agent
  • Surface active agents
  • Corrosion inhibitor
  • Processing aids, specific to petroleum production
  • Anti-scaling agent
  • Emulsifier
  • Not Known or Reasonably Ascertainable
  • Anti-static agent
  • Adhesion/cohesion promoter

6.1.2 Consumer Uses

  • Anti-static agent
  • Corrosion inhibitor
  • Surface active agents
  • Surfactant (surface active agent)
  • Lubricating agent

6.2 U.S. Production

Aggregated Product Volume

2019: 1,000,000 - <10,000,000 lb

2018: 1,000,000 - <10,000,000 lb

2017: 1,000,000 - <10,000,000 lb

2016: 1,000,000 - <10,000,000 lb

6.3 General Manufacturing Information

Industry Processing Sectors
  • Soap, Cleaning Compound, and Toilet Preparation Manufacturing
  • Oil and Gas Drilling, Extraction, and Support activities
  • All Other Chemical Product and Preparation Manufacturing
  • Rubber Product Manufacturing
  • Fabricated Metal Product Manufacturing
  • Petroleum Refineries
  • Paint and Coating Manufacturing
  • Textiles, apparel, and leather manufacturing
  • Petroleum Lubricating Oil and Grease Manufacturing
  • Asphalt Paving, Roofing, and Coating Materials Manufacturing
EPA TSCA Commercial Activity Status

7 Safety and Hazards

7.1 Hazards Identification

7.1.1 GHS Classification

Note
Pictograms displayed are for 99.6% (1179 of 1184) of reports that indicate hazard statements. This chemical does not meet GHS hazard criteria for 0.4% (5 of 1184) of reports.
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements

H302 (38.3%): Harmful if swallowed [Warning Acute toxicity, oral]

H314 (95%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

H318 (60.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statement Codes

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501

(The corresponding statement to each P-code can be found at the GHS Classification page.)

ECHA C&L Notifications Summary

Aggregated GHS information provided per 1184 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria per 5 of 1184 reports by companies. For more detailed information, please visit ECHA C&L website.

There are 18 notifications provided by 1179 of 1184 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.

7.1.2 Hazard Classes and Categories

Acute Tox. 4 (38.3%)

Skin Corr. 1B (95%)

Eye Dam. 1 (60.8%)

7.2 Regulatory Information

The Australian Inventory of Industrial Chemicals
REACH Registered Substance
New Zealand EPA Inventory of Chemical Status
Phosphoric acid, 2-ethylhexyl ester: Does not have an individual approval but may be used under an appropriate group standard

8 Patents

8.1 Depositor-Supplied Patent Identifiers

8.2 Chemical Co-Occurrences in Patents

8.3 Chemical-Disease Co-Occurrences in Patents

9 Classification

9.1 ChemIDplus

10 Information Sources

  1. Australian Industrial Chemicals Introduction Scheme (AICIS)
  2. CAS Common Chemistry
    LICENSE
    The data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.
    https://creativecommons.org/licenses/by-nc/4.0/
  3. ChemIDplus
    ChemIDplus Chemical Information Classification
    https://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
  4. EPA Chemical Data Reporting (CDR)
    LICENSE
    The U.S. Government retains a nonexclusive, royalty-free license to publish or reproduce these documents, or allow others to do so, for U.S. Government purposes. These documents may be freely distributed and used for non-commercial, scientific and educational purposes.
    https://www.epa.gov/web-policies-and-procedures/epa-disclaimers#copyright
    Phosphoric acid, 2-ethylhexyl ester
    https://www.epa.gov/chemical-data-reporting
  5. EPA Chemicals under the TSCA
    Phosphoric acid, 2-ethylhexyl ester
    https://www.epa.gov/chemicals-under-tsca
  6. European Chemicals Agency (ECHA)
    LICENSE
    Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.
    https://echa.europa.eu/web/guest/legal-notice
    Phosphoric acid, 2-ethylhexyl ester
    https://chem.echa.europa.eu/100.032.479
  7. New Zealand Environmental Protection Authority (EPA)
    LICENSE
    This work is licensed under the Creative Commons Attribution-ShareAlike 4.0 International licence.
    https://www.epa.govt.nz/about-this-site/general-copyright-statement/
  8. PubChem
  9. NCBI
CONTENTS