기본 정보
- CAS
91652-00-5- 표준 SMILES
C=C(C)C(=O)OCCCCCCOc1ccc(C(=O)O)cc1- InChIKey
KAGIRXVDTGQWKF-UHFFFAOYSA-N- 분자식
- C17H22O5
- 평균 분자량
- 306.4 g/mol
- 단동위원소 질량
- 306.1467238
이름 및 식별자
- 우선 이름
- 4-{[6-(Methacryloyloxy)hexyl]oxy}benzenecarboxylic acid
- IUPAC
- 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoic acid
- 현지명
- 4-([6-(메타크릴로일록시)헥실]옥시)벤젠카복실산
- 영어명
- 4-([6-(Methacryloyloxy)hexyl]oxy)benzenecarboxylic acid
- 분자식
- C17H22O5
- 분자량
- 306.35
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
91652-00-5- PubChem CID
- 3730344
- DTXSID
DTXSID30395638- ChEMBL
CHEMBL1305422- Nikkaji
- J680.715A
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 72.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 369
물리화학적 성질
- 녹는점
- 75 · 75-79 °C(Solv: isopropanol (67-63-0))
- 끓는 점
- 457.9 · 457.9±25.0 °C(Predicted)
- 밀도
- 1.122 · 1.122±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.48 · 4.48±0.10(Predicted)
- InChI
- InChI=1S/C17H22O5/c1-13(2)17(20)22-12-6-4-3-5-11-21-15-9-7-14(8-10-15)16(18)19/h7-10H,1,3-6,11-12H2,2H3,(H,18,19)
- InChIKey
- KAGIRXVDTGQWKF-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=C(OCCCCCCOC(=O)C(C)=C)C=C1
안전 및 규제
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
응용 분야
용도4-{[6-(Methacryloyloxy)hexyl]oxy}benzenecarboxylic acid is a useful research chemical compound.
제조 방법
The preparation of 4-([6-(methacryloyloxy)hexyl]oxy)benzenecarboxylic acid is as follows:6-(4-Formylphenoxy)hexyl methacrylate in an amount of 116.14 g, 2100 mL of methanol, an aqueous sodium dihydrogen phosphate solution (obtained by dissolving 43 g of sodium dihydrogen phosphate dihydrate in 570 mL of water) and 73 mL of a 30% hydrogen peroxide solution were added one by one. An aqueous sodium chlorite solution (obtained by dissolving 61.9 g of sodium chlorite with the purity of 80% in 500 mL of water) was added by dropping. After dropping, the reaction liquid was stirred at 45° C. for 3 hours, and the reaction was finished. After slowly cooling the reaction liquid to 20° C., 2250 mL of water was dropped to the reaction liquid, and a solid was precipitated. The solid was collected by filtration, and 72.7 g of 4-((6-(methacryloyloxy)hexyl)oxy)benzoic acid was thus obtained.
상·하류 제품 정보
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