CAS 29654-55-5 3,5-Dihydroxybenzyl alcohol (HCID 34661)

이름 및 식별자

우선 이름: 3,5-Dihydroxybenzyl alcohol
IUPAC: 5-(hydroxymethyl)benzene-1,3-diol
영어명: 3,5-Dihydroxybenzyl alcohol
분자식: C7H8O3
분자량: 140.14

이름 및 동의어

3,5-Dihydroxybenzyl alcohol29654-55-51,3-Benzenediol, 5-(hydroxymethyl)-BENZYL ALCOHOL, 3,5-DIHYDROXY-DTXSID30183830N93GGY9WECRefChem:91546DTXCID70106321249-751-85-(Hydroxymethyl)-1,3-benzenediol5-(Hydroxymethyl)benzene-1,3-diol5-(Hydroxymethyl)resorcinol

이름 더 보기

2-(hydroxymethyl)benzene-1,4-diol3,5-DihydroxybenzylRARECHEM AL BD 02523,5-dihydroxy Methanol3,5-Dihydroxybenzyl alchydroxyMethyl)resorcinol3-dihidroxybenzylalcohol5-Dihydroxybenzylalcohol3，5-dihidroxybenzylalcohol

MFCD000168673,5-DihydroxybenzylalcoholEINECS 249-751-83,5-dihydroxy benzyl alcohol5-HYDROXYMETHYLBENZENE-1,3-DIOLCHEMBL40766145-hydroxymethyl-benzene-1,3-diol3,5-Dihydroxybenzyl alcohol, 99%

데이터베이스 식별자

CAS: 29654-55-5
PubChem CID: 34661
DTXSID: DTXSID30183830
ChEMBL: CHEMBL4076614
ChEBI: CHEBI:214756
UNII: N93GGY9WEC
EC Number: 249-751-8
Nikkaji: J41.852H

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 60.7 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 95

물리화학적 성질

녹는점: 182 · 182-186 °C (dec.) (lit.)
끓는 점: 216.62 °C · 216.62°C (rough estimate)
밀도: 1.2127 · 1.2127 (rough estimate)
굴절률: 1.4638 · 1.4638 (estimate)
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: DMSO, 메탄올에 용해됩니다.
물리적 상태: 결정성 분말
산도 계수 (pKa): 9.23 · 9.23±0.10(Predicted)
색상: 미색에서 베이지색 핑크 또는 회색
BRN: 2326351 · 2326351
InChI: InChI=1S/C7H8O3/c8-4-5-1-6(9)3-7(10)2-5/h1-3,8-10H,4H2
InChIKey: NGYYFWGABVVEPL-UHFFFAOYSA-N
SMILES: C1(O)=CC(CO)=CC(O)=C1

화학적 성질

White to light yellow crystal powder

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 (97.9%): 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 47 reports by companies from 6 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

Regulatory Information1,3-Benzenediol, 5-(hydroxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

규제 정보

Regulatory Information1,3-Benzenediol, 5-(hydroxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
rtecs: DO1400000
독성: mouse,LD50,intravenous,750mg/kg (750mg/kg),British Journal of Pharmacology and Chemotherapy. Vol. 22, Pg. 221, 1964.
HS 번호: 29052900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 3건

개요3,5-dihydroxybenzyl alcohol: a kind of critical medicine intermediate and chemical intermediate3,5-Dihydroxybenzyl alcohol is a colourless product with a melting point of 182~186℃. It is soluble in water, ethanol, ether, THF and other polar solvents. This compound is a vital pharmaceutical and chemical intermediate and an essential raw material for organic synthesis. It can be used as a raw material to prepare pseudo-choleretic drugs with intellectual property rights in my country, such as pseudo-amyloid, bonicon, bromoprim, and resveratrol. It has antibacterial, anti-inflammatory, anti-tumour, antioxidant, anti-shock, and coronary heart disease prevention and treatment biological activities. It is mainly isolated from Veratrum ussuri and Veratrum hairy spike produced in Northeast China; it can also be used to synthesize pharmaceutical intermediates such as 3,5-dihydroxybenzaldehyde and 3,5-dihydroxybenzoyl ethyl ketone, and can also be used as an additive in the field of fine chemicals such as daily chemicals.

용도3,5-Dihydroxybenzyl Alcohol is a used as a dendrimer building block.

일반 설명Aggregation behavior of 3,5-dihydroxybenzyl alcohol based dendritic polymers has been investigated by dynamic light scattering and transmission electron microscopy. Preparation of dendritic polyether macromolecules based on 3, 5-dihydroxybenzyl alcohol building block and having carboxylate groups as chain-ends has been described.