3,4-Dimethoxyphenylessigsure

(3,4-Dimethoxyphenyl)acetic acid

HCID 7139CAS 93-40-3
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Grundinformationen

Standard-SMILES
COc1ccc(CC(=O)O)cc1OC
InChIKey
WUAXWQRULBZETB-UHFFFAOYSA-N
Summenformel
C10H12O4
Durchschnittliche Molmasse
196,2 g/mol
Monoisotopische Masse
196,07355886

Namen und Bezeichner

Bevorzugter Name
(3,4-Dimethoxyphenyl)acetic acid
IUPAC
2-(3,4-dimethoxyphenyl)acetic acid
Lokaler Name
3,4-Dimethoxyphenylessigsure
Englischer Name
(3,4-Dimethoxyphenyl)acetic acid
Summenformel
C10H12O4
Molmasse
196.2

Namen und Synonyme

93-40-3Homoveratric acid3,4-Dimethoxyphenylacetic acid2-(3,4-dimethoxyphenyl)acetic acid(3,4-DIMETHOXYPHENYL)ACETIC ACIDBenzeneacetic acid, 3,4-dimethoxy-3,4-Dimethoxybenzeneacetic acidYY50GIT3C7NSC-2753NSC-27897DTXSID5059086CHEBI:86655
Weitere Namen anzeigen
Homoveratrumic acidNSC 2753NSC 27897AKOS 90105Ivabradin-3ASISCHEM P20560AKOS BBS-00003748
RefChem:788470DTXCID6048836202-244-5(3,4-Dimethoxyphenyl) Acetic Acid3,4-Dimethoxyphenyl acetic acid(3,4-Dimethoxy-phenyl)-acetic acidAcetic acid, (3,4-dimethoxyphenyl)-MFCD00004335

Datenbank-Bezeichner

CAS
93-40-3
PubChem CID
7139
DTXSID
DTXSID5059086
ChEBI
CHEBI:86655
UNII
YY50GIT3C7
EC Number
202-244-5
Nikkaji
J46.682D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1
Polarare Oberfläche (TPSA)
55,8 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
4
Schwere Atome
14

Experimentelle und physikochemische Eigenschaften

Melting Point96 °C
Physical DescriptionSolid

Physikochemische Eigenschaften

Schmelzpunkt
96 · 96-98 °C (lit.)
Siedepunkt
293.08 °C · 293.08°C (rough estimate)
Dichte
1.2166 · 1.2166 (rough estimate)
Brechungsindex
1.543 · 1.5430 (estimate)
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 7.8% (4 of 51) of reports.

Warning

H315 (15.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (92.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (90.2%): 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 51 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 4 of 51 reports by companies.；There are 6 notifications provided by 47 of 51 reports by companies with hazard statement code(s).；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 Information · 2 Einträge

Status: Active Update: 31-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/17872

3,4-Dimethoxyphenylacetic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (15.7%)；Eye Irrit. 2 (92.2%)；STOT SE 3 (90.2%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Status: Active Update: 31-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/17872

3,4-Dimethoxyphenylacetic acid: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29189090
RTECS-Nr.
AH0675000
risk_code
36/37/38-22-36/37
hazard_code
Xn,Xi

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

General Manufacturing InformationBenzeneacetic acid, 3,4-dimethoxy-: ACTIVE

Anwendungen

VerwendenHomoveratric Acid is a dopamine metabolite that inhibits brain mitochondrial respiration via monoamine oxidase/H2O2-dependent or non-dependent pathway.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

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]
INTATRADE GmbH+49 3493/605464 · [email protected]

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