4-Isopropylcyclohexanol
Grundinformationen
- CAS
15890-36-5- Standard-SMILES
CC(C)C1CCC(O)CC1- InChIKey
DKKRDMLKVSKFMJ-UHFFFAOYSA-N- Summenformel
- C9H18O
- Durchschnittliche Molmasse
- 142,24 g/mol
- Monoisotopische Masse
- 142,13576519
Namen und Bezeichner
- Bevorzugter Name
- 4-Isopropylcyclohexanol
- IUPAC
- 4-propan-2-ylcyclohexan-1-ol
- Englischer Name
- 4-Isopropylcyclohexanol
- Summenformel
- C9H18O
- Molmasse
- 142.24
Namen und Synonyme
4-ISOPROPYLCYCLOHEXANOL4621-04-9Cyclohexanol, 4-(1-methylethyl)-p-IsopropylcyclohexanolCyclohexanol, 4-isopropyl-DTXSID2047149DTXCID0027149NSC-211233N745V536FRefChem:524339225-035-0trans-4-Isopropylcyclohexanol
Weitere Namen anzeigen
Ccris 8052trans-4-Isopropylcyclohexanol>trans-4-(1-Methylethyl)cyclohexanoltrans-4-isopropylcyclohexanol - [K83290]Cyclohexanol, 4-(1-methylethyl)-, trans-
15890-36-54-iso-Propylcyclohexanol22900-08-9cis-4-isopropylcyclohexanolcis-opropylcyclohexanolCyclohexanol, 4-(1-methylethyl)-, cis-Cyclohexanol, p-isopropyl-4-(Propan-2-Yl)Cyclohexan-1-Ol
Datenbank-Bezeichner
- CAS
15890-36-5、22900-08-9、4621-04-9- PubChem CID
- 20739
- DTXSID
DTXSID2047149- ChEMBL
CHEMBL3187028- UNII
- 365047QI0X、Q5HS2TR1NE
- EC Number
- 225-035-0
- Nikkaji
- J3.739.583H、J34.007C、J779.154B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 90
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
1173
1165
1651；1683
Physikochemische Eigenschaften
- Schmelzpunkt
- 6 °C · 6°C(lit.)
- Siedepunkt
- 94 °C/5mmHg · 94°C/5mmHg(lit.)
- Dichte
- 0.915 · 0.9150
- Brechungsindex
- 1.464 to · 1.4640 to 1.4680
- pka
- 15.3 · 15.30±0.40(Predicted)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- InChI
- InChI=1S/C9H18O/c1-7(2)8-3-5-9(10)6-4-8/h7-10H,3-6H2,1-2H3/t8-,9-
- InChIKey
- DKKRDMLKVSKFMJ-KYZUINATSA-N
- SMILES
- [C@@H]1(O)CC[C@@H](C(C)C)CC1
- CAS Datenbank
- 15890 · 15890-36-5
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
Danger
H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 1596 reports by companies from 4 notifications to the ECHA C&L Inventory.；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
Chemical: Cyclohexanol, 4-(1-methylethyl)-
Status: Active Update: 02-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19659
Cyclohexanol, 4-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and CategoriesEye Dam. 1 (97.6%)
Regulatorische Informationen
Regulatory Information
Chemical: Cyclohexanol, 4-(1-methylethyl)-
Status: Active Update: 02-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19659
Cyclohexanol, 4-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Chemie und Industrie
Verwendung und Herstellung
Household ProductsInformation on 1 consumer products that contain Cyclohexanol, 4-(1-Methylethyl)- in the following categories is provided:；• Commercial / Institutional
Use ClassificationFragrance Ingredients
General Manufacturing InformationCyclohexanol, 4-(1-methylethyl)-: ACTIVE
Anbieter14 Anbieter
苏州启航生物科技有限公司18151111370 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
扬州瑞宏生物科技有限公司15380367604; 15380367604 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
南京今冉生物新材料科技有限公司+86-025-58218501; 19941513806
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