기본 정보
- CAS
2480-86-6- 표준 SMILES
COc1cc(C(C)O)ccc1O- InChIKey
BDRRAMWDUCXAKG-UHFFFAOYSA-N- 분자식
- C9H12O3
- 평균 분자량
- 168.19 g/mol
- 단동위원소 질량
- 168.07864424
개요
Apocynol is a member of the class of phenols that is phenol substituted by a methoxy group at position 2 and a 1-hydroxyethyl group at position 4 respectively. It is a member of benzyl alcohols, a member of phenols and a member of methoxybenzenes.
이름 및 식별자
- 우선 이름
- 4-Hydroxy-3-methoxy-alpha-methylbenzyl Alcohol
- IUPAC
- 4-(1-hydroxyethyl)-2-methoxyphenol
- 현지명
- 4-(1-하이드록시에틸)-2-메톡시페놀
- 영어명
- 4-(1-Hydroxyethyl)-2-methoxyphenol
- 분자식
- C9H12O3
- 분자량
- 168.19
이름 및 동의어
4-Hydroxy-3-methoxy-alpha-methylbenzyl alcoholRefChem:523812626-302-84-(1-hydroxyethyl)-2-methoxyphenol2480-86-6ApocynolBenzenemethanol, 4-hydroxy-3-methoxy-alpha-methyl-MFCD002386381-(4-hydroxy-3-methoxyphenyl)ethanol4-Hydroxy-3-methoxy-a-methylbenzyl alcoholNSC47035bmse010002
이름 더 보기
4-(1-하이드록시에틸)-2-메톡시페놀4-Hydroxy-3-methoxy-α4-(1-Hydroxyethyl)-2-methoxyphenol2-Hydroxy-5-(1-hydroxyethyl)anisole3-METHOXY-4-HYDROXYPHENYLMETHYLCARBINOL4-hydroxy-3-methoxyphenylmethylcarbinol4-Hydroxy-3-methoxyphenyl-methylcarbino4-HYDROXY-3-METHOXY-ALPHA-METHYLBENZYL &4-Hydroxy-3-methoxy-α-methylbenzyl Alcohol
4-hydroxy-3-methoxyphenylethanolNSC-470354-Hydroxy-3-methoxy-|A-methylbenzyl alcoholNSC 470354-Hydroxy-3-methoxy-alpha-methylbenzenemethanolSCHEMBL1301569SCHEMBL11383561SCHEMBL29466173
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 49.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 138
물리화학적 성질
- 녹는점
- 100 · 100-104 °C (lit.)
- 끓는 점
- 301.5 · 301.5±32.0 °C(Predicted)
- 밀도
- 1.176 · 1.176±0.06 g/cm3(Predicted)
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 10.06 · 10.06±0.31(Predicted)
- 색상
- White to Light yellow to Light orange
- InChI
- 1S/C9H12O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-6,10-11H,1-2H3
- InChIKey
- BDRRAMWDUCXAKG-UHFFFAOYSA-N
- SMILES
- COc1cc(ccc1O)C(C)O
- LogP
- 0.35 · 0.350 (est)
화학적 성질
Off-white to pink-tan powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
안전 데이터
- wgk
- 2
- HS 번호
- 2909500090
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-36
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
상·하류 제품 정보
하류 제품
공급사42 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
重庆科脉材料科技有限公司13370757113 · [email protected]
广东元丰化学试剂有限公司
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