Basic information
- CAS
564-02-3- Standard SMILES
CCC(C)C(C)(C)C- InChIKey
XTDQDBVBDLYELW-UHFFFAOYSA-N- Molecular formula
- C8H18
- Average molar mass
- 114.23 g/mol
- Monoisotopic mass
- 114.14085057
Overview
2,2,3-Trimethylpentane is a hydrocarbon and one of the isomers of octane. Octanes may be found in gasoline. (L1296)
Names & identifiers
- Preferred name
- 2,2,3-Trimethylpentane
- IUPAC
- 2,2,3-trimethylpentane
- English name
- 2,2,3-TRIMETHYLPENTANE
- Molecular formula
- C8H18
- Molecular weight
- 114.23
Names & synonyms
2,2,3-TRIMETHYLPENTANE564-02-3Pentane, 2,2,3-trimethyl-MFCD000592411P0B7R5K5TNSC-73954UNII-1P0B7R5K5TNSC73954EINECS 209-266-4NSC 73954Pentane,2,3-trimethyl-2-TERT-BUTYLBUTANE
Show more names
trimethylpentane(CH3)3CCH(CH3)CH2CH32,2,3-Trimethylpentane >2,2,3-TRIMETHYLPENTANE 99+%2,2,3-Trimethylpentane in methanol2,2,3-Trimethylpentanetrimethylpentane
SCHEMBL132888SCHEMBL163361SCHEMBL233272SCHEMBL497672SCHEMBL1402254SCHEMBL1896248SCHEMBL4620578SCHEMBL6248298
Database identifiers
- CAS
564-02-3- PubChem CID
- 11255
- DTXSID
DTXSID60862202- UNII
- 1P0B7R5K5T
- EC Number
- 209-266-4
- Nikkaji
- J44.095G
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 56.9
Experimental & physicochemical properties
SolventsSolvents -> Aliphatics, Saturated (<C12)
Vapor Pressure32.1 [mmHg]
Physical DescriptionLiquid; [TCI America MSDS]
Physicochemical properties
- Melting point
- -112.26 °C · -112.26°C
- Boiling point
- 110 °C · 110 °C
- Density
- 0.72 · 0.72
- refractive index
- 1.402 to · 1.4020 to 1.4040
- Flash point
- 8 °C · 8 °C
- form
- clear liquid
- color
- Colorless
- Henry's Law Constant
- 2.4 · 2.4×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- Dielectric constant
- 2 · 2.0(Ambient)
- CAS DataBase Reference
- 564 · 564-02-3(CAS DataBase Reference)
- FDA UNII
- 1 P0B7R5K5T · 1P0B7R5K5T
- EPA Substance Registry System
- 2 · 2,2,3-Trimethylpentane (564-02-3)
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 315 · H315-H336-H304-H410-H225
- Precautionary statements
- 501 · P501-P261-P273-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P391-P331-P362+P364-P303+P361+P353-P332+P313-P301+P310-P304+P340+P312-P403+P233-P403+P235-P405
- RIDADR
- 1262 · 1262
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 2901100000 · 2901100000
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
Hazards SummaryMay have anesthetic effects (drowsiness, dizziness, and headache); [ChemSampCo MSDS] See 3-Methylpentane.
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 EffectsPetroleum distillates are aspiration hazards and may cause pulmonary damage, central nervous system depression, and cardiac effects such as cardiac arrhythmias. They may also affect the blood, immune system, liver, and kidney. (A600, L1297)
Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesOral (L400) ; inhalation (L400) ; dermal (L400)
Toxicity SummaryPetroleum distillates are central nervous system depressants and cause pulmonary damage. (A600)
Signs and Symptoms
Petroleum distillate poisoning may cause nausea, vomiting, cough, pulmonary irritation progressing to pulmonary edema, bloody sputum, and bronchial pneumonia. At high amounts, central nervous system depression may also occur, with symptoms such as weakness, dizziness, slow and shallow respiration, unconsciousness, and convulsions. Petroleum distillates are also irritating to the skin. (A594)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Safety data
- ridadr
- 1262
- hs_code
- 2901100000
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08,GHS09
- hazard_class
- 3
- packing_group
- II
- Hazard statements
- H315-H336-H304-H410-H225
- Precautionary statements
- P501-P261-P273-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P391-P331-P362+P364-P303+P361+P353-P332+P313-P301+P310-P304+P340+P312-P403+P233-P403+P235-P405
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
UsesOctanes may be found in gasoline. (L1296)
Applications
Uses2,2,3-Trimethylpentane (CAS# 564-02-3) is a chemical component of gasoline.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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