3,3-Dimethyloctane
Grundinformationen
- CAS
4110-44-5- Standard-SMILES
CCCCCC(C)(C)CC- InChIKey
DBULLUBYDONGLT-UHFFFAOYSA-N- Summenformel
- C10H22
- Durchschnittliche Molmasse
- 142,28 g/mol
- Monoisotopische Masse
- 142,1721507
Überblick
3,3-dimethyloctane is an alkane that is octane in which the two methylene hydrogens at position 3 have been replaced by methyl groups. It has a role as a plant metabolite and a bacterial metabolite. It is a volatile organic compound and an alkane.
Namen und Bezeichner
- Bevorzugter Name
- 3,3-Dimethyloctane
- IUPAC
- 3,3-dimethyloctane
- Englischer Name
- 3,3-Dimethyloctane
- Summenformel
- C10H22
- Molmasse
- 142.28
Namen und Synonyme
3,3-Dimethyloctane4110-44-5Octane, 3,3-dimethyl-3,3-dimethyl-octaneCHEBI:143850DTXSID20194051RefChem:90820DTXCID30116542621-871-9DBULLUBYDONGLT-UHFFFAOYSA-NInChI=1/C10H22/c1-5-7-8-9-10(3,4)6-2/h5-9H2,1-4HMFCD00048874
Weitere Namen anzeigen
NISTC41104453,3-Dimethyloctane >3,3-Dimethyloctane in isooctane
3,3-DIMETHYL OCTANESCHEMBL598125SCHEMBL625211SCHEMBL1973779SCHEMBL3895632SCHEMBL5357146SCHEMBL5984752SCHEMBL9858335
Datenbank-Bezeichner
- CAS
4110-44-5- PubChem CID
- 138117
- DTXSID
DTXSID20194051- ChEBI
CHEBI:143850- EC Number
- 621-871-9
- Nikkaji
- J196A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,2
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 72,1
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SpringerMaterials PropertiesBoiling point
Physikochemische Eigenschaften
- Schmelzpunkt
- -53.99 °C · -53.99°C
- Siedepunkt
- 161 °C · 161°C
- Dichte
- 0 · 0,74 g/cm3
- Brechungsindex
- 1.414 · 1.4140-1.4160
- Flammpunkt
- 161 °C · 161°C
- storage temp.
- 2 · Storage temp. 2-8°C
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- Wasserlöslichkeit
- 85.34 ug/L · 85.34ug/L(temperature not stated)
- Henry's Law Constant
- 1 · 1.0×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- CAS Datenbank
- 4110 · 4110-44-5(CAS DataBase Reference)
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Sicherheitsdaten
- ridadr
- 3295
- hs_code
- 2901.10.3000
- risk_code
- 10-36/37/38
- safety_code
- 26-36
- hazard_class
- 3
- packing_group
- III
Chemie und Industrie
Anwendungen
Verwenden3,3-Dimethyloctane has been shown to be effective in the treatment of nematodes and rhizosphere soils. It can also be used as an insecticide. It has been shown to inhibit the growth of human alveolar cells and root tissues, but not platelet aggregation or exudates. The toxicity of 3,3-dimethyloctane is mediated through its inhibition of mitochondrial electron transport. This inhibition leads to cell death by apoptosis or necrosis.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter32 Anbieter
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
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TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
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上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
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TCI Chemicals (India) Pvt. Ltd.[email protected]
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Ergänzende Hinweise
DefinitionChEBI: 3,3-dimethyloctane is an alkane that is octane in which the two methylene hydrogens at position 3 have been replaced by methyl groups. It has a role as a bacterial metabolite and a plant metabolite. It is an alkane and a volatile organic compound.
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