6-Methylheptyl dihydrogen phosphate

Basic Information

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CAS Number

12645-53-3

Molecular Formula

C8H19O4P

Molecular Weight

210.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

SMILES

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CC(C)CCCCCOP(=O)(O)O

InChI

InChI=1S/C8H19O4P/c1-8(2)6-4-3-5-7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)

InChIKey

RQINQJTUMGQYOB-UHFFFAOYSA-N

LogP

2.312100000000001

Topological Polar Surface Area

66.76 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

164

Safety Information

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Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

12645-53-3
3256-92-6
DTXSID10874012
Isooctanol, dihydrogen phosphate
NS00084714
ISOOCTYL PHOSPHATE ((C8H17O)(HO)2PO)
6-methylheptyl dihydrogen phosphate
NSC 41917
26403-12-3
Phosphoric acid, monoisooctyl ester
Isooctyl dihydrogen phosphate
Isooctyl phosphate
isooctylphosphoric acid
37488031TR
NS00085311
SCHEMBL506267
Q27256626
PHOSPHORIC ACID, ISOOCTYL ESTER
Isooctyl monophosphate
EINECS 247-671-8
Isooctyl alcohol, dihydrogen phosphate
Monoisooctyl phosphate
Phosphoric acid, isooctyl ester
6-Methylheptyl dihydrogen phosphate
Isooctyl acid phosphate

MDL Number

MFCD00072411

FAQ

What is 6-Methylheptyl dihydrogen phosphate (CAS: 12645-53-3)?

6-Methylheptyl dihydrogen phosphate is an organic compound with the CAS number 12645-53-3. It is a derivative of phosphate and is characterized by its molecular structure featuring a 6-methylheptyl group attached to a dihydrogen phosphate moiety.

What are the main uses of 6-Methylheptyl dihydrogen phosphate (CAS: 12645-53-3)?

6-Methylheptyl dihydrogen phosphate (6-MHP) is used primarily in pharmaceutical applications as a buffer and pH adjuster. It also finds use in certain industrial processes and as a reagent in research settings.

Is 6-Methylheptyl dihydrogen phosphate (CAS: 12645-53-3) safe?

6-Methylheptyl dihydrogen phosphate is generally considered safe for the intended industrial and pharmaceutical uses when handled properly. However, it is important to follow all safety guidelines, including the use of personal protective equipment, as it may cause irritation if inhaled or contacted with skin.

How should 6-Methylheptyl dihydrogen phosphate (CAS: 12645-53-3) be stored?

6-Methylheptyl dihydrogen phosphate should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. Ideal storage conditions include a temperature range of 15-25°C and a humidity level below 60% to maintain its stability.