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more general categories information about this item 03. Biological Effects of Specific Chemicals 03. Biological Effects of Specific Chemicals poison [CHEBI:64909] (7) nephrotoxin [CHEBI:61015] (5) isooctane [CHEBI:62805] (1) 05. Industrial Uses 05. Industrial Uses solvent [CHEBI:46787] (49) non-polar solvent [CHEBI:48355] (13) isooctane [CHEBI:62805] (1) 08. Chemical Category 08. Chemical Category main group molecular entity [CHEBI:33579] (25650) s-block molecular entity [CHEBI:33674] (7287) hydrogen molecular entity [CHEBI:33608] (6932) hydrides [CHEBI:33692] (1374) organic hydride [CHEBI:37175] (1178) organic fundamental parent [CHEBI:33245] (1178) hydrocarbon [CHEBI:24632] (505) alkane [CHEBI:18310] (29) isooctane [CHEBI:62805] (1) p-block molecular entity [CHEBI:33675] (25343) carbon group molecular entity [CHEBI:33582] (23847) organic molecular entity [CHEBI:50860] (23769) organic fundamental parent [CHEBI:33245] (1178) hydrocarbon [CHEBI:24632] (505) alkane [CHEBI:18310] (29) isooctane [CHEBI:62805] (1) aliphatic compound [CHEBI:33653] (90) alkane [CHEBI:18310] (29) isooctane [CHEBI:62805] (1) polyatomic entity [CHEBI:36357] (18777) heteroatomic molecular entity [CHEBI:37577] (13672) hydrides [CHEBI:33692] (1374) organic hydride [CHEBI:37175] (1178) organic fundamental parent [CHEBI:33245] (1178) hydrocarbon [CHEBI:24632] (505) alkane [CHEBI:18310] (29) isooctane [CHEBI:62805] (1) 09. Chemical Capabilities 09. Chemical Capabilities fuel additive [CHEBI:62803] (4) isooctane [CHEBI:62805] (1) ChEBI Compound Accession Identifier: [CHEBI:62805] ChEBI Compound Description: An alkane that consists of pentane bearing two methyl substituents at position 2 and a single methyl substituent at position 4. ChEBI Compound Identification Number: 62805 ChEBI InChI Value: InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3 ChEBI InChIKey Value: NHTMVDHEPJAVLT-UHFFFAOYSA-N ChEBI Compound Name: isooctane ChEBI SMILES Value: CC(C)CC(C)(C)C ChEBI Substance ID: 125258740 ChEBI URL: ChEBI:62805 ChemSpider ID: 10445 Ontomatica Chemical Accession Key (OnChAKey): NHTMVDHEPJAVLT_UHFFFAOYSA_N_000_000000 PubChem Compound ID: 10907