2,3,5-Trimethylhydrochinon

Trimethylhydroquinone

HCID 12785CAS 700-13-0
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
Cc1cc(O)c(C)c(C)c1O
InChIKey
AUFZRCJENRSRLY-UHFFFAOYSA-N
Summenformel
C9H12O2
Durchschnittliche Molmasse
152,19 g/mol
Monoisotopische Masse
152,08372962

Überblick

2,3,5-trimethylhydroquinone is a member of the class of hydroquinones that is hydroquinone substituted by methyl groups at positions 2, 3 and 5. It is a member of hydroquinones and a methylbenzene.

Namen und Bezeichner

Bevorzugter Name
Trimethylhydroquinone
IUPAC
2,3,5-trimethylbenzene-1,4-diol
Lokaler Name
2,3,5-Trimethylhydrochinon
Englischer Name
Trimethylhydroquinone
Summenformel
C9H12O2
Molmasse
152.19

Namen und Synonyme

Trimethylhydroquinone700-13-02,3,5-TrimethylhydroquinonePseudocumohydroquinonepsi-Cumohydroquinone1,4-Benzenediol, 2,3,5-trimethyl-2,3,6-Trimethylhydroquinone2,3,5-Trimethyl-1,4-benzenediol2,3,5-TrimethylquinolDTXSID7052446GSY6340N4ANSC-401617
Weitere Namen anzeigen
tmhq3,6-dihydroxypseudocumol-Cumoquinol2,3,5- trimethyl-1trimethyl-hydroquinonTrimethylhydroqninone
DTXCID9031018CHEBI:176794RefChem:441842211-838-32,3,5-trimethylbenzene-1,4-diol.psi.-CumohydroquinoneHYDROQUINONE, TRIMETHYL-2,3,5-Trimethyl-benzene-1,4-diol

Datenbank-Bezeichner

CAS
700-13-0
PubChem CID
12785
DTXSID
DTXSID7052446
ChEMBL
CHEMBL3182864
ChEBI
CHEBI:176794
UNII
GSY6340N4A
EC Number
211-838-3
Nikkaji
J12.289K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,7
Polarare Oberfläche (TPSA)
40,5 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Phenols
SpringerMaterials PropertiesBoiling point
Vapor Pressure0.000204 [mmHg]
Physical DescriptionBeige powder; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
169 · 169-172 °C (lit.)
Siedepunkt
295 °C · 295 °C (759.8513 mmHg)
Dichte
0.9595 · 0.9595 (rough estimate)
Dampfdruck
0 · 0-0.017Pa at 20-50℃
Brechungsindex
1.4464 · 1.4464 (estimate)
Flammpunkt
191 °C · 191 °C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H315: Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 0.6% (1 of 171) of reports.

Danger

H315 (99.4%): Causes skin irritation [Warning Skin corrosion/irritation]

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 1,4-Benzenediol, 2,3,5-trimethyl-

Status: Active Update: 04-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27694

1,4-Benzenediol, 2,3,5-trimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards Summary · 1 Eintrag

Causes burns or irritation to rabbit skin; A severe eye irritant in rabbits; A skin sensitizer in guinea pig skin painting test; [IUCLID] Danger of skin sensitization; [MAK] Causes corneal damage, other cardiac changes, and emphysema in inhalation lethal-concentration studies of rats; [RTECS] An irritant that may cause serious eye injury; May cause skin sensitization; Harmful by inhalation; [Sigma-Aldrich MSDS] See Hydroquinone.

Hazard Classes and Categories · 4 Einträge

Skin Irrit. 2 (99.4%)

Acute toxicity - category 4

Acute toxicity (Inhalation: Dusts and mists) - Category 4

Acute Tox. 4 *

Toxikologische Informationen

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Toxicity DataLC50 (rat) = 1,500 mg/m3/4hr

Sicherheitsdaten

F
9-23
wgk
2
tsca
TSCA listed
ridadr
UN 3077 9/PG 3
hs_code
29072990
RTECS-Nr.
MX7820000

Chemie und Industrie

Verwendung und Herstellung

UsesReducing agent. [ChemIDplus] Used to make fine chemicals; [ExPub: ECHA REACH Registrations]
General Manufacturing Information1,4-Benzenediol, 2,3,5-trimethyl-: ACTIVE

Anwendungen

VerwendenTrimethylhydroquinone is used for synthesizing vitamin E and used as medical intermediate.

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]
淄博泰立泽化工有限公司0533-5200592 13173271895 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Zugehörige Reaktionen

154
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…