Isopropylphenol
2-Isopropylphenol
Grundinformationen
- CAS
25168-06-3- Standard-SMILES
CC(C)c1ccccc1O- InChIKey
CRBJBYGJVIBWIY-UHFFFAOYSA-N- Summenformel
- C9H12O
- Durchschnittliche Molmasse
- 136,19 g/mol
- Monoisotopische Masse
- 136,088815
Überblick
O-isopropyl phenol is a light-yellow liquid. Less dense than water and insoluble in water. Hence floats on water.
Namen und Bezeichner
- Bevorzugter Name
- 2-Isopropylphenol
- IUPAC
- 2-propan-2-ylphenol
- Lokaler Name
- Isopropylphenol
- Englischer Name
- isopropylphenol
- Summenformel
- C9H12O
- Molmasse
- 136.19098
Namen und Synonyme
2-Isopropylphenol88-69-7O-ISOPROPYLPHENOLo-Hydroxycumene2-(1-Methylethyl)phenolo-CumenolPhenol, o-isopropyl-1-Hydroxy-2-isopropylbenzene2-(propan-2-yl)phenolPhenol, 2-(1-methylethyl)-2-propan-2-ylphenolProdox 131
Weitere Namen anzeigen
isopropylphenol1-METHYLETHYLPHENOLPhenol,(1-methylethyl)-25168-06-3 Isopropylphenol isomer mixture
ISOPROPYLPHENOL, ORTHO1-Hydroxy-3-isopropylbenzeneortho-isopropylphenolFEMA No. 3461DTXSID2044391B2899Z0Q2UNSC-5103DTXCID0024391
Datenbank-Bezeichner
- CAS
25168-06-3、88-69-7- PubChem CID
- 6943
- DTXSID
DTXSID2044391- ChEMBL
CHEMBL30018- ChEBI
CHEBI:38506- UNII
- B2899Z0Q2U
- EC Number
- 201-852-8、246-699-8
- Nikkaji
- J44.155D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 98,9
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Phenols
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
FragrancesFragrance Ingredient (2-Isopropylphenol) -> IFRA transparency List
LogP
2.88
2.88
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
0.995 at 68 °F (USCG, 1999) - Less dense than water; will float
0.989-0.999
Flavoring AgentsEU Flavoring substances
Solubility
slightly soluble in water
miscible (in ethanol)
Flash Point220 °F (USCG, 1999)
Boiling Point
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.3% (5 of 1618) of reports.
Danger
H302 (99.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1618 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Phenol, 2-(1-methylethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: 2-isopropylphenol (EC: 201-852-8)
Phenol, 2-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Propyl and butyl phenols
DOT LabelCorrosive
Fire HazardsSpecial Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire. (USCG, 1999)
Health HazardsExposure can cause irritation of eyes, nose and throat. (USCG, 1999)
Hazards Summary
Causes sleep in intravenous lethal-dose studies of mice (LD50 = 100 mg/kg); [RTECS] A skin, eye, nose, and throat irritant; May cause second-degree skin burns after a few minutes contact; Vapor is moderately irritating; [CHRIS] Safe when used as a flavoring agent in food; [JECFA] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; Harmful by ingestion; [Sigma-Aldrich MSDS]
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
UsesUsed as a flavoring agent; [FDA]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Phenol, 2-(1-methylethyl)-: ACTIVE
Phenol, (1-methylethyl)-: INACTIVE
Zugehörige Reaktionen
105
Notizen zur Verbindung
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