2-히드록시-3-메톡시벤질 알코올

3-Methoxysalicyl alcohol

HCID 78088CAS 4383-05-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cccc(CO)c1O
InChIKey: OSZHSESNQIMXMZ-UHFFFAOYSA-N
분자식: C8H10O3
평균 분자량: 154.16 g/mol
단동위원소 질량: 154.06299418

이름 및 식별자

우선 이름: 3-Methoxysalicyl alcohol
IUPAC: 2-(hydroxymethyl)-6-methoxyphenol
현지명: 2-히드록시-3-메톡시벤질 알코올
영어명: 2-Hydroxy-3-methoxybenzyl alcohol
분자식: C8H10O3
분자량: 154.16

이름 및 동의어

4383-05-5o-Vanillyl alcohol3-Methoxysalicyl alcoholBenzenemethanol, 2-hydroxy-3-methoxy-2-hydroxy-3-methoxybenzenemethanolDTXSID80195948EINECS 224-488-1RefChem:503306DTXCID20118439224-488-12-(Hydroxymethyl)-6-methoxyphenol2-Hydroxy-3-methoxybenzyl alcohol

이름 더 보기

RARECHEM AL BD 0033ortho-vanillyl alcohol2-hydroxy-3-methoxybenzylol2-Hydroxy-3-(hydroxymethyl)anisole

MFCD000083622-(hydroxymethyl)-6-methoxy-phenol2-hydroxymethyl-6-methoxyphenolo-(Hydroxymethyl)guaiacolEN300-6982256-(hydroxymethyl)-2-methoxyphenol2-Vanillyl alcoholOKE

데이터베이스 식별자

CAS: 4383-05-5
PubChem CID: 78088
DTXSID: DTXSID80195948
ChEMBL: CHEMBL3786715
UNII: CR6WC34BRQ
EC Number: 224-488-1
Nikkaji: J205.759J

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 49.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 116

물리화학적 성질

녹는점: 61 · 61-63 °C (lit.)
끓는 점: 135 °C/0.2 · 135 °C/0.2 mmHg (lit.)
밀도: 1.169 · 1.1690 (rough estimate)
굴절률: 1.462 · 1.4620 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 9.93 · 9.93±0.10(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C8H10O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-4,9-10H,5H2,1H3
InChIKey: OSZHSESNQIMXMZ-UHFFFAOYSA-N
SMILES: C1(CO)=CC=CC(OC)=C1O
LogP: 0.543 · 0.543 (est)
NIST: 2 · 2-Hydroxy-3-methoxybenzyl alcohol(4383-05-5)

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2909500090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Hydroxy-3-methoxybenzyl alcohol was employed as substrate, to investigate in vitro substrate specificity of UDP-glucose:p-hydroxymandelonitrile-O-glucosyltransferase from Sorghum bicolor (UGT85B1).

상·하류 제품 정보

상류 원료

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

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