Grundinformationen
- Standard-SMILES
Oc1cc2ccccc2cc1O- InChIKey
JRNGUTKWMSBIBF-UHFFFAOYSA-N- Summenformel
- C10H8O2
- Durchschnittliche Molmasse
- 160,17 g/mol
- Monoisotopische Masse
- 160,0524295
Überblick
Naphthalene-2,3-diol is a naphthalenediol.
Namen und Bezeichner
- Bevorzugter Name
- 2,3-Dihydroxynaphthalene
- IUPAC
- naphthalene-2,3-diol
- Lokaler Name
- Naphthalin-2,3-diol
- Englischer Name
- 2,3-Dihydroxynaphthalene
- Summenformel
- C10H8O2
- Molmasse
- 160.17
Namen und Synonyme
2,3-DihydroxynaphthaleneNaphthalene-2,3-diol92-44-42,3-NAPHTHALENEDIOLDTXSID2043903O9U131030ZCHEBI:38135NSC-8707DTXCID0023903RefChem:81773202-156-72,3-Dihydroxynapthalene
Weitere Namen anzeigen
2,3-Dihydroxy2,3-DIHYDROXYNAPHTHALENE, SUBL.Naphthalin-2,3-diolDihydroxynaphthaleneNaphthalenediol-(2,3)3-Dihydroxynaphthalene2,3-Dihydroxyphthalene
2,3-Dihydroxy naphthalene2,3-DihydroxynaphthleneNSC 8707MFCD00004073EINECS 202-156-73-hydroxy-2-naphtholBDBM362902,3-DIHYDROXY-NAPHTHALENE
Datenbank-Bezeichner
- CAS
92-44-4- PubChem CID
- 7091
- DTXSID
DTXSID2043903- ChEMBL
CHEMBL205007- ChEBI
CHEBI:38135- UNII
- O9U131030Z
- EC Number
- 202-156-7
- Nikkaji
- J30.353D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 140
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Naphthols
Cosmetics
Cosmetic ingredients (2,3-Naphthalenediol) -> CIR (Cosmetic Ingredient Review)
Hair dyeing
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.24
Vapor Pressure0.00000715 [mmHg]
Physical DescriptionWhite powder; [Alfa Aesar MSDS]
Collision Cross Section
132.44 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
131.3 Ų [M-H]-
Physikochemische Eigenschaften
- Schmelzpunkt
- 161 · 161-165 °C (lit.) 162-164 °C
- Siedepunkt
- 246.06 °C · 246.06°C (rough estimate)
- Dichte
- 1.0924 · 1.0924 (rough estimate)
- Dampfdruck
- 0.8 hPa · 0.8 hPa (149 °C)
- Brechungsindex
- 1.5178 · 1.5178 (estimate)
- Flammpunkt
- 175 °C · 175 °C
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 4 g/l · 4g/l
- Aggregatzustand
- Powder
- pka
- 9.1 · 9.10±0.40(Predicted)
- Farbe
- White to pinkish to beige-grayish
- PH
- 6 · 6 (1g/l, H2O, 20℃)
- Wasserlöslichkeit
- slightly soluble
- BRN
- 742375 · 742375
- Henry's Law Constant
- 2 · 2.0×105 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- Kosmetik-Inhaltsstoffe Funktionen
- HAIR DYEING
- InChI
- 1S/C10H8O2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,11-12H
- InChIKey
- JRNGUTKWMSBIBF-UHFFFAOYSA-N
- SMILES
- Oc1cc2ccccc2cc1O
- CAS Datenbank
- 92 · 92-44-4(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2,3-Naphthalenediol(92-44-4)
- EPA chemische Informationen
- 2 · 2,3-Naphthalenediol (92-44-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (16%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2,3-Naphthalenediol
2,3-Naphthalenediol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Chemicals with limited data availability that may be used in hair dyes overseas: Human health tier II assessment
Hazards SummaryIntravenous LD50 (mouse) = 56 mg/kg; [RTECS] An irritant that may cause serious eye injury; Harmful by ingestion; [Alfa Aesar MSDS] See 1-Napththol and 2-Naphthol. See 2,7-Naphthalenediol.
Hazard Classes and CategoriesAcute Tox. 4 (16%)
Toxikologische Informationen
Toxicity Summary
The CIR Expert Panel concludes that the available data are insufficient to support the safety of 2,3-Naphthalenediol as used in cosmetics.
Ingredients for which the data are insufficient and their use in cosmetics is not supported
Sicherheitsdaten
- F
- 10-23
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29072900
- RTECS-Nr.
- QJ4750000
- risk_code
- 36/37/38
- Toxizität
- LD50 orally in Rabbit: 970 mg/kg
- hazard_code
- Xi
- safety_code
- 26-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Selbstentzündungstemperatur
- >330 °C
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites2,3-Dihydroxynaphthalene has known human metabolites that include 3-Methoxy-2-naphthol.
Verwendung und Herstellung
UsesCIR ingredient: 2,3-Naphthalenediol
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information2,3-Naphthalenediol: ACTIVE
Anwendungen
Verwenden2,3-Dihydroxynaphthalene is used in making dyes, pigments, fluorescent whiteners, tanning agents, antioxidants, and antiseptics.
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