4-(4-이소프로폭시페닐설포닐)페놀

한글명:4-(4-이소프로폭시페닐설포닐)페놀

카스 번호95235-30-6

상품명:4-Hydroxy-4'-isopropoxydiphenylsulfone

CBNumberCB2324449

분자식C15H16O4S

포뮬러 무게292.35

MOL 파일95235-30-6.mol

동의어(한글)

4-(4-이소프로폭시페닐설포닐)페놀

4-히드록시-4'-이소프로폭시디페닐술폰

화학적 성질

녹는점	129 °C
끓는 점	478.8±30.0 °C(Predicted)
밀도	1.251±0.06 g/cm3(Predicted)
증기압	0Pa at 27℃
저장 조건	Sealed in dry,Room Temperature
용해도	0.891 in mg/100g standard fat at 20 ℃
물리적 상태	powder to crystal
산도 계수 (pKa)	7.24±0.15(Predicted)
색상	흰색에서 거의 흰색
수용성	19.7mg/L at 25℃
InChI	InChI=1S/C15H16O4S/c1-11(2)19-13-5-9-15(10-6-13)20(17,18)14-7-3-12(16)4-8-14/h3-11,16H,1-2H3
InChIKey	ZTILAOCGFRDHBH-UHFFFAOYSA-N
SMILES	C1(O)=CC=C(S(C2=CC=C(OC(C)C)C=C2)(=O)=O)C=C1
LogP	3.36 at 25℃
CAS 데이터베이스	95235-30-6(CAS DataBase Reference)
EPA	Phenol, 4-[[4-(1-methylethoxy)phenyl]sulfonyl]- (95235-30-6)

위험 및 안전 성명

위험품 표기	N
위험 카페고리 넘버	51/53
안전지침서	61
HS 번호	2930.90.2900

그림문자(GHS)

4-(4-이소프로폭시페닐설포닐)페놀 화학적 특성, 용도, 생산

용도
For color developing dyes, various types of dye such as fluoran, phthalide, lactam, triphenylmethane, spiropyran and other types of leuco dyes can be used, but usable dyes are not limited to these only. Besides, these color developing dyes can be mixed in different combinations.
Safety
4-Hydroxy-4′-isopropoxydiphenylsulfone (BPSIP), a novel alternative to BPA, is frequently detected in breast milk and the placental barrier system, suggesting that it may be transmitted from mother to offspring and increase the risk of exposure. In a study of the behavioral and neurobiological effects of early-life exposure to BPSIP (0.02, 0.1, and 0.5 mg/kg body weight/day) in mouse offspring, BPSIP exposure induced ASD-like behaviors in male and female pups, including increased anxiety-related behaviors and decreased spatial memory. A clear pattern of decreased social novelty was observed only in female offspring, accompanied by significant changes in antioxidant levels. In addition, decreased protein levels of complex IV (COX IV) in all tested populations suggest a significant impact on mitochondrial function, which may contribute to abnormal energy metabolism in autism. Changes in synaptic proteins, as evidenced by altered levels of synapsin 1 (SYN1) and postsynaptic density protein 95 (PSD95) in the cerebellum and hippocampus, support the idea of synaptic involvement. These findings suggest that BPSIP may induce sex-specific neurotoxic effects involving oxidative stress, energy production, and synaptic plasticity^[1].
Synthesis
30.3 g of bis(p-hydroxyphenyl)sulfone, 18.5 g of isopropylbromide, and 22.2 g of potassium carbonate as acid-binding agent were added to 200 ml of dimethylformamide, then stirred for 4 hours at about 120° C. and dimethylformamide was distilled off under reduced pressure. When this was accomplished, chloroform was added to the residue to extract crude 4-hydroxy-4'-isopropoxydiphenylsulfone. Then this crude compound was refined by using a silica gel column chromatography and 15.7 g of 4-hydroxy-4'-isopropoxydiphenylsulfone was obtained in white microfine crystals with a melting point of 129.0°~131.0° C.

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