4-tert-Butylbenzaldehyd

4-tert-Butylbenzaldehyde

HCID 70324CAS 939-97-9
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Grundinformationen

Standard-SMILES
CC(C)(C)c1ccc(C=O)cc1
InChIKey
OTXINXDGSUFPNU-UHFFFAOYSA-N
Summenformel
C11H14O
Durchschnittliche Molmasse
162,23 g/mol
Monoisotopische Masse
162,10446507

Namen und Bezeichner

Bevorzugter Name
4-tert-Butylbenzaldehyde
IUPAC
4-tert-butylbenzaldehyde
Lokaler Name
4-tert-Butylbenzaldehyd
Englischer Name
4-tert-Butylbenzaldehyde
Summenformel
C11H14O
Molmasse
162.23

Namen und Synonyme

4-tert-Butylbenzaldehyde939-97-9Benzaldehyde, 4-(1,1-dimethylethyl)-p-tert-Butylbenzaldehydep-t-Butylbenzaldehyde4-t-butyl benzaldehydeBenzaldehyde, p-tert-butyl-DTXSID6027343QXF0QY85034-(1,1-dimethylethyl)benzaldehydeEINECS 213-367-9para-tert-butylbenzaldehyde
Weitere Namen anzeigen
AKOS BBS-00003171TIMTEC-BB SBB0085644-tert-Butylbenzaldetert-ButylbenzaldehydLABOTEST-BB LT00689343p-tert.ButylbenzaldehydP-TERT-BUTYL BENZALDEHYDE
AI3-37199DTXCID707343EC 213-367-9RefChem:5268584-T-BUTYL BENZALDEHYDE [INCI]213-367-9InChI=1/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H4-(tert-Butyl)benzaldehyde

Datenbank-Bezeichner

CAS
939-97-9
PubChem CID
70324
DTXSID
DTXSID6027343
ChEMBL
CHEMBL242962
ChEBI
CHEBI:232598
UNII
QXF0QY8503
EC Number
213-367-9
Nikkaji
J298.539J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,1
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
2
Schwere Atome
12

Physikochemische Eigenschaften

Schmelzpunkt
245 · 245-246 °C
Siedepunkt
130 °C25 · 130 °C25 mm Hg(lit.)
Dichte
0.97 g/mL · 0.97 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.53(lit.)
Flammpunkt
214 °F · 214 °F
storage temp.
2 · Keep in dark place,Inert atmosphere,2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (68.8%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (30.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (71.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H334 (24.7%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H361 (68.2%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]；H400 (98.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (30.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P203, P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P318, P321, P330, P333+P317, P342+P316, P362+P364, P391, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 154 reports by companies from 9 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: Benzaldehyde, 4-(1,1-dimethylethyl)-

Status: Active Update: 16-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/10941；Status: Active Update: 14-08-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7170

Hazard Classes and CategoriesAcute Tox. 3 (68.8%)；Acute Tox. 4 (30.5%)；Skin Sens. 1 (71.4%)；Resp. Sens. 1 (24.7%)；Repr. 2 (68.2%)；Aquatic Acute 1 (98.7%)；Aquatic Chronic 1 (30.5%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: Benzaldehyde, 4-(1,1-dimethylethyl)-

Status: Active Update: 16-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/10941；Status: Active Update: 14-08-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7170

Sicherheitsdaten

F
8-9-23
wgk
2
tsca
TSCA listed
ridadr
UN 3082 9/PG 3
hs_code
29122990
risk_code
22-43-50/53

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzaldehyde, 4-(1,1-dimethylethyl)-: ACTIVE
Anwendungen · 1 Eintrag

VerwendenUsed for preparing isoxazolyl penicillin derivatives. 4-tert-Butylbenzaldehyde is suitable for use in a kinetic study to evaluate the kinetic constants (KI) for inhibition of mushroom tyrosinase by 4-substituted benzaldehydes. It is also an important intermediate for the synthesis of medicines, dyes, flavor and fragrance compounds.

Vor- und nachgelagerte Produkte

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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]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

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