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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
Phosphoric acid, butyl ester

Inventory

EC number:
235-826-2
EC name:
Phosphoric acid, butyl ester
CAS number:
12788-93-1
CAS number:
12788-93-1
Synonyms
Names:
Phosphoric acid, butyl ester
Identifier:
IUPAC name
Phosphoric acid, butyl ester
Identifier:
IUPAC name
Reaction mass of butyl dihydrogen phosphate and dibutyl hydrogen phosphate
Identifier:
IUPAC name
butan-1-ol;phosphoric acid
Identifier:
IUPAC name
butyl dihydrogen phosphate
Identifier:
other: Molecular formula
C4H10O.xH3O4P
Identifier:
other: Molecular formula
C4H11O4P
Identifier:
other: Molecular formula
C4H13O5P
Identifier:
other: SMILES notation
CCCCOP(O)(O)=O
Identifier:
other: InChl
InChI=1S/C4H10O.H3O4P/c1-2-3-4-5;1-5(2,3)4/h5H,2-4H2,1H3;(H3,1,2,3,4)
Identifier:
other: SMILES notation
OCCCC.O=P(O)(O)O
Identifier:
other: SMILES notation
OP(OCCCC)(O)=O
Identifier:
other: InChl
nChI=1S/C4H11O4P/c1-2-3-4-8-9(5,6)7/h2-4H2,1H3,(H2,5,6,7)
butyl phosphate

Molecular and structural information

Molecular formula:
C4H11PO4
Molecular weight:
>= 154.101
SMILES notation:
CCCCOP(=O)(O)O
InChl:
InChI=1/C4H11O4P/c1-2-3-4-8-9(5,6)7/h2-4H2,1H3,(H2,5,6,7)
Structural formula:
Chemical structure

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