2-Methylresorcin

2-Methylresorcinol

HCID 11843CAS 608-25-3
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
Cc1c(O)cccc1O
InChIKey
ZTMADXFOCUXMJE-UHFFFAOYSA-N
Summenformel
C7H8O2
Durchschnittliche Molmasse
124,14 g/mol
Monoisotopische Masse
124,0524295

Namen und Bezeichner

Bevorzugter Name
2-Methylresorcinol
IUPAC
2-methylbenzene-1,3-diol
Lokaler Name
2-Methylresorcin
Englischer Name
2-Methylresorcinol
Summenformel
C7H8O2
Molmasse
124.14

Namen und Synonyme

2-Methylresorcinol608-25-32-methylbenzene-1,3-diol2,6-Dihydroxytoluene1,3-Benzenediol, 2-methyl-2-Methyl-1,3-benzenediol2-Methyl-1,3-dihydroxybenzeneDTXSID0025571ORISTAR MRRODOL MRSNSC-6652432W7044A3T
Weitere Namen anzeigen
2-MR2-Methylresocinol2-methyl-3-benzenediolRodol MRP2,6-Dihydr
DTXCID005571RefChem:88387210-155-82-MethylresorcinResorcinol, 2-methyl-Toluene-2,6-diol1,3-DIHYDROXY-2-METHYLBENZENEMFCD00002271

Datenbank-Bezeichner

CAS
608-25-3
PubChem CID
11843
DTXSID
DTXSID0025571
ChEMBL
CHEMBL2332773
UNII
32W7044A3T
EC Number
210-155-8
Nikkaji
J71.615D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,6
Polarare Oberfläche (TPSA)
40,5 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Phenols
Cosmetics · 2 Einträge

Cosmetic ingredients (2-Methylresorcinol) -> CIR (Cosmetic Ingredient Review)

Hair dyeing

SpringerMaterials PropertiesBoiling point
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionColorless to light brown solid; [EC: SCCP]
Collision Cross Section123.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0025571]

Physikochemische Eigenschaften

Schmelzpunkt
114 · 114-120 °C(lit.)
Siedepunkt
264 °C · 264 °C(lit.)
Dichte
1.1006 · 1.1006 (rough estimate)
Dampfdruck
0.017 Pa · 0.017Pa at 20℃
Brechungsindex
1.4922 · 1.4922 (estimate)
Flammpunkt
135 °C · 135°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 0.5% (1 of 192) of reports.

Danger

H301 (94.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 192 reports by companies from 23 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 1,3-Benzenediol, 2-methyl-

Status: Active Update: 18-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5570

1,3-Benzenediol, 2-methyl-: 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.

Other Safety InformationIMAP assessments - 1,3-Benzenediol, 2-methyl-: Human health tier II assessment
Hazards Summary · 1 Eintrag

Irritating to skin and corrosive to eyes in rabbits; Considered a moderate skin sensitizer based on results from a mouse local lymph node assay; No evidence of teratogenicity or developmental toxicity; [EC: SCCP] Causes weight loss in 13-week oral studies of rats; [RTECS] A skin and strong eye irritant; Toxic by ingestion; [Aldrich MSDS] See Resorcinol.

Hazard Classes and Categories · 2 Einträge

Acute Tox. 3 (94.8%)

Acute toxicity - category 4

Toxikologische Informationen

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 2811 6.1/PG 3
hs_code
29072900
RTECS-Nr.
VH2009500
risk_code
25-36/37/38-34-20/21/22

Chemie und Industrie

Verwendung und Herstellung

Uses · 3 Einträge

CIR ingredient: 2-Methylresorcinol

Used in oxidative and non-oxidative hair dye formulations; [EC: SCCP]

Dressing Hair [Category: Other]

Household ProductsInformation on 187 consumer products that contain 2-Methylresorcinol in the following categories is provided:
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information1,3-Benzenediol, 2-methyl-: ACTIVE

Anwendungen

Verwenden2-Methylresorcinol is used in the preparation of aromatic benziporphyrins, tripyrrane analogs and C-5-bromo-2-hydroxyphenylcalix[4]-2-methylresorcinarene. Further, it is employed in oxidative and non-oxidative hair dye formulations.

Darstellung · 1 Eintrag

synthetischeSynthesis of 2-methylresorcinol: The synthetic routes to an alkylresorcinol that is partially alkylated at a position other than the 4th position on the aromatic ring are multistep and give low overall yields. For example, a 50% yield of a 2-methylresorcinol is obtained by hydrogenation of resorcinol and methylation of the resulting dihydroresorcinol to 2-methylcyclohexane-1,3-dione which on treatment with bromine is converted into 4,6-dibromo-2-methylresorcinol and finally hydrogenolysis of the dibromo derivative to produce the 2-methylresorcinol. Another example is that 5-methylresorcinol can be prepared by a five-step synthesis starting with p-toluidine or a four-step synthesis starting from ethyl crotonate. The five-step synthesis involves acetylation, two-step nitration, reductive hydrogenation, and hydrolysis.Literature source US04086281

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [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]

Zugehörige Reaktionen

88
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…