5-(Hydroxymethyl)resorcin

3,5-Dihydroxybenzyl alcohol

HCID 34661CAS 29654-55-5
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Grundinformationen

Standard-SMILES
OCc1cc(O)cc(O)c1
InChIKey
NGYYFWGABVVEPL-UHFFFAOYSA-N
Summenformel
C7H8O3
Durchschnittliche Molmasse
140,14 g/mol
Monoisotopische Masse
140,04734411

Namen und Bezeichner

Bevorzugter Name
3,5-Dihydroxybenzyl alcohol
IUPAC
5-(hydroxymethyl)benzene-1,3-diol
Lokaler Name
5-(Hydroxymethyl)resorcin
Englischer Name
3,5-Dihydroxybenzyl alcohol
Summenformel
C7H8O3
Molmasse
140.14

Namen und Synonyme

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
Weitere Namen anzeigen
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%

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,3
Polarare Oberfläche (TPSA)
60,7 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
10

Physikochemische Eigenschaften

Schmelzpunkt
182 · 182-186 °C (dec.) (lit.)
Siedepunkt
216.62 °C · 216.62°C (rough estimate)
Dichte
1.2127 · 1.2127 (rough estimate)
Brechungsindex
1.4638 · 1.4638 (estimate)
storage temp.
2 · Inert atmosphere,2-8°C
Löslichkeit
Soluble in DMSO, methanol.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

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%)

Regulatorische Informationen

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

Sicherheitsdaten

wgk
3
hs_code
29052900
RTECS-Nr.
DO1400000
risk_code
36/37/38
Toxizität
mouse,LD50,intravenous,750mg/kg (750mg/kg),British Journal of Pharmacology and Chemotherapy. Vol. 22, Pg. 221, 1964.
hazard_code
Xi

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung3,5-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.

Verwenden3,5-Dihydroxybenzyl Alcohol is a used as a dendrimer building block.

Vor- und nachgelagerte Produkte

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国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京科朗科技有限公司025-58748998 18951874644 · [email protected]

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