EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Salt-form
UNII	C4QT53N4MK
EPA CompTox	DTXSID8029361

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Salt-form

UNII

C4QT53N4MK

EPA CompTox

DTXSID8029361


InChI Key	MJHORFXTDAGQEU-UHFFFAOYSA-M
Smiles	[K+].CCCCCCCCCCCCOP(O)([O-])=O
InChI	InChI=1S/C12H27O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H2,13,14,15);/q;+1/p-1

InChI Key

MJHORFXTDAGQEU-UHFFFAOYSA-M

Smiles

[K+].CCCCCCCCCCCCOP(O)([O-])=O

InChI

InChI=1S/C12H27O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H2,13,14,15);/q;+1/p-1

Property Name	Value
Molecular Formula	C12H26KO4P
Molecular Weight	304.12
AlogP	0.39
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	12.0
Polar Surface Area	69.59
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C12H26KO4P

Molecular Weight

304.12

AlogP

0.39

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

12.0

Polar Surface Area

69.59

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	39322-78-6
NORMAN SUSDAT
FDA SRS	C4QT53N4MK

Resources

Reference

CAS NUMBER

39322-78-6

NORMAN SUSDAT

FDA SRS

C4QT53N4MK

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

PHOSPHORIC ACID, DODECYL ESTER, POTASSIUM SALT

Structure

Physicochemical Descriptors

Cross References