2,2-Dimethylpentane
Basic information
- CAS
590-35-2- Standard SMILES
CCCC(C)(C)C- InChIKey
CXOWYJMDMMMMJO-UHFFFAOYSA-N- Molecular formula
- C7H16
- Average molar mass
- 100.2 g/mol
- Monoisotopic mass
- 100.12520051
Overview
2,2-dimethylpentane has been reported in Perilla frutescens with data available.
Names & identifiers
- Preferred name
- 2,2-Dimethylpentane
- IUPAC
- 2,2-dimethylpentane
- English name
- 2,2-Dimethylpentane
- Molecular formula
- C7H16
- Molecular weight
- 100.2
Names & synonyms
2,2-DIMETHYLPENTANE590-35-2Pentane, 2,2-dimethyl-1,1,1-TrimethylbutaneMFCD00009404M82T90QEVXPentane, 2,2-dimethyl-; 2,2-DimethylpentaneEINECS 209-680-5UNII-M82T90QEVX2,2-dimethyl-pentaneSCHEMBL18748SCHEMBL37435
Show more names
SCHEMBL56628SCHEMBL56629SCHEMBL84206SCHEMBL93549SCHEMBL558041SCHEMBL640519SCHEMBL1891720SCHEMBL4773821
Database identifiers
- CAS
590-35-2- PubChem CID
- 11542
- DTXSID
DTXSID5060439- UNII
- M82T90QEVX
- EC Number
- 209-680-5
- Nikkaji
- J43.411F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 38.5
Experimental & physicochemical properties
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesBoiling point
Vapor Pressure105.0 [mmHg]
Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -123.8 °C · -123.8 °C
- Boiling point
- 79.2 °C · 79.2 °C
- Density
- 0.6738 g/cm3 · 0.6738 g/cm3
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 Information2,2-Dimethylpentane: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; An aspiration hazard by ingestion (may cause lung damage); Inhalation may cause dizziness and drowsiness; [Sigma-Aldrich MSDS]
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable liquid - category 2
Flam. Liq. 2
Safety & protection
Exposure Control and Personal Protection500.0 [ppm]
Threshold Limit Values (TLV)
400.0 [ppm]
500.0 [ppm]
Toxicology
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)
Household ProductsInformation on 2 consumer products that contain 2,2-Dimethylpentane in the following categories is provided:
General Manufacturing InformationPentane, 2,2-dimethyl-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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