4-sec-Butylphenol

HCID 7453CAS 99-71-8
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Grundinformationen

Standard-SMILES
CCC(C)c1ccc(O)cc1
InChIKey
ZUTYZAFDFLLILI-UHFFFAOYSA-N
Summenformel
C10H14O
Durchschnittliche Molmasse
150,22 g/mol
Monoisotopische Masse
150,10446507

Namen und Bezeichner

Bevorzugter Name
4-sec-Butylphenol
IUPAC
4-butan-2-ylphenol
Lokaler Name
4-sec-Butylphenol
Englischer Name
4-(2-Butyl)phenol
Summenformel
C10H14O
Molmasse
150.22

Namen und Synonyme

4-sec-Butylphenol99-71-8p-sec-Butylphenol4-(1-Methylpropyl)phenolPhenol, 4-(1-methylpropyl)-4-(Butan-2-yl)phenol4-(2-Butyl)phenol1-Hydroxy-4-sec-butylbenzeneP-(SEC-BUTYL)PHENOLDTXSID7022332Phenol, p-(sec-butyl)-WU4KME5B3X
Weitere Namen anzeigen
PSBPPARA-SEC-BUTYLPHENOLC14139P-S-BUTYLPHENOLp-(sec-butyl)-phenoPhenol,p-sec-butyl-Phenol, p-sec-butyl-
NSC 2210EINECS 202-781-5BRN 1364714AI3-18887NSC-2210DTXCID502332RefChem:526708202-781-5

Datenbank-Bezeichner

CAS
99-71-8
PubChem CID
7453
DTXSID
DTXSID7022332
ChEMBL
CHEMBL29398
ChEBI
CHEBI:34442
UNII
WU4KME5B3X
EC Number
202-781-5
Nikkaji
J362J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,1
Polarare Oberfläche (TPSA)
20,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
2
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid; Other Solid
Kovats Retention Index · 3 Einträge

1265；1285

1313.7；1315.3；1317.9；1279；1293

2068

Physikochemische Eigenschaften

Schmelzpunkt
46 · 46-59 °C(lit.)
Siedepunkt
135 · 135-136 °C25 mm Hg(lit.)
Dichte
0.986 · 0.9860
Brechungsindex
1.5182 · 1.5182
Flammpunkt
240 °F · 240 °F
pka
10.11 · 10.11±0.26(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (37.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H400 (26.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 147 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Chemical: Phenol, 4-(1-methylpropyl)-

Phenol, 4-(1-methylpropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4-(1-methylpropyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Other Safety InformationEvaluation - Propyl and butyl phenols
Hazard Classes and Categories · 2 Einträge

Skin Corr. 1B (100%)；Eye Dam. 1 (37.4%)；Aquatic Acute 1 (26.5%)

Acute toxicity (Oral) - Category 4；Skin corrosion/irritation - Category 1；Serious eye damage/eye irritation - Category 1；Specific target organ toxicity - Single exposure - Category 2 (systemic toxicity)；Specific target organ toxicity - Repeated exposure - Category 2 (kidney)；Hazardous to the aquatic environment (Acute) - Category 2；Hazardous to the aquatic environment (Long-term) - Category 2

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: Phenol, 4-(1-methylpropyl)-

Phenol, 4-(1-methylpropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4-(1-methylpropyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Sicherheitsdaten

wgk
2
tsca
TSCA listed
ridadr
UN 2430 8/PG 2
hs_code
2907199090
RTECS-Nr.
SJ8924000
risk_code
34

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites4-sec-Butylphenol has known human metabolites that include (2S,3S,4S,5R)-6-(4-butan-2-ylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.

Verwendung und Herstellung

U.S. Production2023: 1,000,000 - <5,000,000 lb；2022: 1,000,000 - <5,000,000 lb；2021: 1,000,000 - <5,000,000 lb；2020: 1,000,000 - <5,000,000 lb
Industry UsesIntermediate；Monomers
Use ClassificationFragrance Ingredients
General Manufacturing Information · 2 Einträge

Plastics Material and Resin Manufacturing

Phenol, 4-(1-methylpropyl)-: ACTIVE

Anwendungen

VerwendenPhenolic Resins, Epoxy Resins

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

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