Phthalic acid hydrogen 1-butyl ester

Name	Butyl Hydrogen Phthalate
Synonyms	mono-n-butyl ester BUTYL HYDROGEN PHTHALATE Butyl Hydrogen Phthalate Phthalic acid 2-butyl ester MONOBUTYL PHTHALATE SOLUTION Phthalic acid hydrogen 1-butyl Phthalic acid mono-n-butyl ester Phthalic acid hydrogen 1-butyl ester Phthalic acid 1-hydrogen 2-butyl ester 1,2-Benzenedicarboxylic Acid 1-Butyl Ester copper(2+) bis[2-(butoxycarbonyl)benzoate]
CAS	131-70-4
EINECS	205-036-2
InChI	InChI=1/C13H16N2O2.C8H6O4/c1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10;9-7(10)5-3-1-2-4-6(5)8(11)12/h4-8,11H,2-3,9H2,1H3,(H,14,16);1-4H,(H,9,10)(H,11,12)

Molecular Formula	C12H14O4
Molar Mass	222.24
Density	1.0643 (rough estimate)
Melting Point	73 °C
Boling Point	283.41°C (rough estimate)
Solubility	Soluble in ethanol and chloroform.
Appearance	Sheet crystallization from acetone and ethanol
Color	White to Off-White
BRN	2051402
pKa	3.38±0.36(Predicted)
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	1.4560 (estimate)
MDL	MFCD00043498

Hazard Symbols	T - Toxic
Risk Codes	R61 - May cause harm to the unborn child R62 - Possible risk of impaired fertility
Safety Description	S53 - Avoid exposure - obtain special instructions before use. S36/37 - Wear suitable protective clothing and gloves. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany	3
RTECS	TI2475000

EPA chemical information	Information provided by: ofmpub.epa.gov (external link)
use	dibutyl phthalate (DBP) is a kind of phthalate esters (PAEs) and is widely used in plastic processing industry as a plasticizer. Monobutyl phthalate (MBP) is a degradation product and synthetic intermediate of DBP.
application	can be used to synthesize cytarabine derivative 5. Cytarabine is an analog of cytosine nucleoside, an inhibitor of DNA polymerase. It can prevent DNA synthesis, can also be incorporated into DNA, interfere with DNA replication, and can also block the reduction of cytosine nucleotides to deoxycytosine nucleotides.
biological activity	Monobutyl phthalate is the main metabolite of dibutyl phthalate (DBP) and has anti-androgen effect. Monobutyl phthalate is an embryonic poison.

Last Update：2024-04-09 15:16:47

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Phthalic acid hydrogen 1-butyl ester

Phthalic acid hydrogen 1-butyl ester Request for Quotation