3,4,5-Trimethylphenol
Grundinformationen
- CAS
527-54-8- Standard-SMILES
Cc1cc(O)cc(C)c1C- InChIKey
FDQQNNZKEJIHMS-UHFFFAOYSA-N- Summenformel
- C9H12O
- Durchschnittliche Molmasse
- 136,19 g/mol
- Monoisotopische Masse
- 136,088815
Überblick
3,4,5-trimethylphenol is a phenol that consists of 1,2,3-trimethylbenzene having a single phenolic hydroxy substituent located at position 5. It derives from a hydride of a 1,2,3-trimethylbenzene.
Namen und Bezeichner
- Bevorzugter Name
- 3,4,5-Trimethylphenol
- IUPAC
- 3,4,5-trimethylphenol
- Lokaler Name
- 3,4,5-Trimethylphenol
- Englischer Name
- 3,4,5-Trimethylphenol
- Summenformel
- C9H12O
- Molmasse
- 136.19
Namen und Synonyme
3,4,5-TRIMETHYLPHENOL527-54-8Phenol, 3,4,5-trimethyl-3,4,5-Hemimellitenol1-Hydroxy-3,4,5-trimethylbenzene5-Hydroxy-1,2,3-trimethylbenzeneUNII-8S1I71213XEINECS 208-418-7NSC 65648NSC-656488S1I71213XDTXSID2060175
Weitere Namen anzeigen
3,4,5-trimethyl-phenoC17883800 3,4,5-Trimethylphenol3,4,5-Trimethylphenol in Methanol3,4,5-TRIMETHYLPHENOL PESTANAL
CHEBI:38896RefChem:90947DTXCID7041257208-418-7FDQQNNZKEJIHMS-UHFFFAOYSA-NInChI=1/C9H12O/c1-6-4-9(10)5-7(2)8(6)3/h4-5,10H,1-3HMFCD00002305SYM-Hemellitenol
Datenbank-Bezeichner
- CAS
527-54-8- PubChem CID
- 10696
- DTXSID
DTXSID2060175- ChEBI
CHEBI:38896- UNII
- 8S1I71213X
- EC Number
- 208-418-7
- Nikkaji
- J101.200B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 99,3
Experimentelle und physikochemische Eigenschaften
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physikochemische Eigenschaften
- Schmelzpunkt
- 94 · 94-98 °C
- Siedepunkt
- 251.8 °C · 251.8°C
- Dichte
- 0.9809 · 0.9809 (estimate)
- Brechungsindex
- 1.5084 · 1.5084 (estimate)
- pka
- 1 · pK1:10.25 (25°C)
- BRN
- 1907246 · 1907246
- Henry's Law Constant
- 3.4 · 3.4×101 mol/(m3Pa) at 25℃, Mackay et al. (2006)
- InChI
- 1S/C9H12O/c1-6-4-9(10)5-7(2)8(6)3/h4-5,10H,1-3H3
- InChIKey
- FDQQNNZKEJIHMS-UHFFFAOYSA-N
- SMILES
- Cc1cc(O)cc(C)c1C
- LogP
- 2.911 · 2.911 (est)
- EPA chemische Informationen
- 3 · 3,4,5-Trimethylphenol (527-54-8)
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2430 8/PG 3
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-28-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationPhenol, 3,4,5-trimethyl-: INACTIVE
Anbieter34 Anbieter
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
BOC Sciences[email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Aladdin Scientific[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
青州达丰进出口有限公司16773308882 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Ergänzende Hinweise
DefinitionChEBI: A phenol that consists of 1,2,3-trimethylbenzene having a single phenolic hydroxy substituent located at position 5.
Zugehörige Reaktionen
10
Notizen zur Verbindung
Wird geladen…