Basic information
- CAS
464-06-2- Standard SMILES
CC(C)C(C)(C)C- InChIKey
ZISSAWUMDACLOM-UHFFFAOYSA-N- Molecular formula
- C7H16
- Average molar mass
- 100.2 g/mol
- Monoisotopic mass
- 100.12520051
Overview
2,2,3-Trimethylbutane is a hydrocarbon and one of the isomers of heptane. Heptanes may be found in gasoline and are widely used as solvents. They are also sold as fuel for outdoor stoves. (L1289)
Names & identifiers
- Preferred name
- 2,2,3-Trimethylbutane
- IUPAC
- 2,2,3-trimethylbutane
- English name
- 2,2,3-Trimethylbutane
- Molecular formula
- C7H16
- Molecular weight
- 0
Names & synonyms
2,2,3-TRIMETHYLBUTANETriptanTriptaneButane, 2,2,3-trimethyl-UNII-40V943JDGRtrimethylbutane40V943JDGREINECS 207-346-3NSC 73938NSC-73938DTXSID7060047Pentamethylethane
Show more names
RefChem:80842Butane, 2,2,3trimethylDTXCID3040489207-346-3InChI=1/C7H16/c1-6(2)7(3,4)5/h6H,1-5HUN1206ZISSAWUMDACLOM-UHFFFAOYSA-N464-06-2
Database identifiers
- CAS
464-06-2- PubChem CID
- 10044
- DTXSID
DTXSID7060047- ChEMBL
CHEMBL4297446- UNII
- 40V943JDGR
- EC Number
- 207-346-3
- Nikkaji
- J44.099J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 45.5
Experimental & physicochemical properties
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesBoiling point
Vapor Pressure102.0 [mmHg]
Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -25 °C · -25 °C
- Boiling point
- 80.8 °C · 80.8 °C
- Density
- 0.7065 g/cm3 · 0.7065 g/cm3(Temp: 40 °C)
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 225 · H225-H304-H315-H336-H410
- Precautionary statements
- 210 · P210-P233-P273-P301+P310-P303+P361+P353-P331
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
REACH registered substance: 2,2,3-trimethylbutane (EC: 207-346-3)
2,2,3-Trimethylbutane: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; May cause CNS depression; An aspiration hazard by ingestion (may cause lung damage); Targets the CNS, heart, and lungs; [Sigma-Aldrich MSDS]
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable liquid - category 2
Flam. Liq. 2
Toxicology
TreatmentTreatment is mainly symptomatic and supportive. Gastric lavage, emesis, and the administration of activated charcoal should be avoided, as vomiting increases the risk of aspiration. (A600)
Health Effects
Chemistry & industry
Pharmacology
Metabolism/MetabolitesVolatile hydrocarbons are absorbed mainly through the lungs, and may also enter the body after ingestion via aspiration. (A600)
Uses & manufacturing
UsesHeptanes may be found in gasoline and are widely used as solvents. They are also sold as fuel for outdoor stoves. (L1289)
General Manufacturing InformationButane, 2,2,3-trimethyl-: ACTIVE
Suppliers48 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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