Homovanillyl alcohol (HCID 16928)

이름 및 식별자

우선 이름: Homovanillyl alcohol
IUPAC: 4-(2-hydroxyethyl)-2-methoxyphenol
영어명: Homovanillyl alcohol
분자식: C9H12O3
분자량: 168.19

이름 및 동의어

Homovanillyl alcohol2380-78-14-(2-Hydroxyethyl)-2-methoxyphenol3-METHOXY-4-HYDROXYPHENYLETHANOLBenzeneethanol, 4-hydroxy-3-methoxy-MOPET9A7EE8MS6ADTXSID40178494MHPERefChem:788469Hydroxymethoxyphenethyl AlcoholAlcohol, Hydroxymethoxyphenethyl

이름 더 보기

Mechanistically2-(4-guaiacyl)-ethanolVilanterol Impurity 77Homovanillyl alcohol,99%Homovanillyl alcohol 99%2-(4Fluorophenoxy)ethanol3,4-Dibromobenzyl alcohol

3 Methoxy 4 hydroxyphenylethanolDTXCID70100985219-175-1Methoxyhydroxyphenylethanol4-Hydroxy-3-methoxyphenethanolVanillylmethanolGuaiacyl ethanol4-(2-Hydroxyethyl)guaiacol

데이터베이스 식별자

CAS: 2380-78-1
PubChem CID: 16928
DTXSID: DTXSID40178494
ChEMBL: CHEMBL3747068
ChEBI: CHEBI:173769
UNII: 9A7EE8MS6A
EC Number: 219-175-1
Nikkaji: J172D

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 49.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 127

실험 및 물리화학적 성질

LogP0.47

Melting Point40 - 42 °C

Physical DescriptionSolid

Kovats Retention Index · 2건

1534；1542；1526；1530

2830；2830；2807；2786；2805；2802

물리화학적 성질

녹는점: 40 · 40-42 °C(lit.)
끓는 점: 316.8 · 316.8±27.0 °C(Predicted)
밀도: 1.182 · 1.182±0.06 g/cm3(Predicted)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 10.23 · 10.23±0.18(Predicted)
색상: 흰색에서 황백색까지
InChI: 1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3
InChIKey: XHUBSJRBOQIZNI-UHFFFAOYSA-N
SMILES: COc1cc(CCO)ccc1O
LogP: 0.47 · 0.470
NIST: Homovanillyl alcohol(2380-78-1)

화학적 성질

Homovanillyl alcohol is a yellow to light brown crystalline chunks with an odorant found in strawberries, grapes and olive oil. Homovanillyl alcohol has high scavenging activities and inhibits homocysteine-induced endothelial cell adhesion.

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

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

화학 및 산업

약리 정보

Cellular LocationsCytoplasm；Extracellular

응용 분야 · 2건

용도Homovanillyl alcohol is a biological metabolite of Hydroxytyrosol. Hydroxytyrosol is a phenolic compound that is present in virgin olive oil (VOO) and wine. Homovanillyl alcohol protects red blood cells (RBCs) from oxidative injury and has protective effect on cardiovascular disease. It was used in the preparation of galactosides.

일반 설명Homovanillyl alcohol is a key component of Queen mandibular pheromone.

상·하류 제품 정보

하류 제품

3,4-디메톡시페놀

공급사50 곳

銘瑞集團有限公司17318633522 · [email protected]

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

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

江苏星科元信息科技有限公司400-605-7200 15335295587

추가 설명

정의ChEBI: Homovanillyl alcohol is a member of methoxybenzenes and a member of phenols.It is a key component of QMP, has been shown to modulate aversive learning behavior in young worker bees.