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2,3,4-Trimethylpentane

2,3,4-Trimethylpentane Structure
2,3,4-Trimethylpentane structure
CAS No.
565-75-3
Chemical Name:
2,3,4-Trimethylpentane
Synonyms
Pentane, 2,3,4-trimethyl-;Tivozanib Impurity 5;2,3,4-Trimethylpentane;2,3,4-trimethyl-pentan;(CH3)2CHCH(CH3)CH(CH3)2;2,3,4-Trimethylpentane >2,3,4-Trimethylpentane,>99%;2,3,4-Trimethylpentane, ≥ 99.0%;2,3,4-Trimethylpentane in methanol;2,3,4-TRIMETHYLPENTANE ISO 9001：2015 REACH
CBNumber:
CB4371245
Molecular Formula:
C8H18
Molecular Weight:
114.23
MDL Number:
MFCD00008924
MOL File:
565-75-3.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-09-12 18:52:46
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2,3,4-Trimethylpentane Properties

Melting point -110 °C (lit.)
Boiling point 113-114 °C (lit.)
Density 0.719 g/mL at 25 °C (lit.)
vapor pressure 27.0 at 25 °C (Wilhoit and Zwolinski, 1971)
refractive index n20/D 1.404(lit.)
Flash point 5°C
solubility Soluble in acetone, alcohol, benzene, chloroform, ether (Weast, 1986); miscible with many aliphatic hydrocarbons
pka >14 (Schwarzenbach et al., 1993)
form clear liquid
color Colorless to Almost colorless
Water Solubility (mg/kg):
1.36 at 25 °C (shake flask-GLC, Price, 1976)
2.34 at 0 °C, 2.30 at 25 °C (shake flask-GC, Polak and Lu, 1973)
Thermal Conductivity 0.1035 W/(m·K) at 25 ℃
Specific Heat Capacity Cp(liquid): 2.16 J/(g·K), at 25℃
BRN 1696869
Henry's Law Constant 1.89 at 25 °C (Mackay and Shiu, 1981)
Exposure limits ACGIH TLV: TWA for all isomers 300 ppm (adopted).
InChI 1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3
InChIKey RLPGDEORIPLBNF-UHFFFAOYSA-N
SMILES CC(C)C(C)C(C)C
CAS DataBase Reference 565-75-3(CAS DataBase Reference)
EWG's Food Scores 1-2
FDA UNII WOJ1QVR6OA
EPA Substance Registry System 2,3,4-Trimethylpentane (565-75-3)
UNSPSC Code 12352100
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
GHS02,GHS07,GHS08,GHS09
Signal word  Danger
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
target organs Central nervous system
PPE Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes  F,Xn,N
Risk Statements  11-38-50/53-65-67
Safety Statements  9-16-29-33-60-61-62
RIDADR  UN 3295 3/PG 2
WGK Germany  3
RTECS  SA3321500
TSCA  TSCA listed
HS Code  2901.10.5000
HazardClass  3
PackingGroup  II
Storage Class 3 - Flammable liquids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Asp. Tox. 1
Flam. Liq. 2
Skin Irrit. 2
STOT SE 3
NFPA 704
3
3 0

2,3,4-Trimethylpentane price More Price(8)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 257508 2,3,4-Trimethylpentane 98% 565-75-3 5g $94.9 2026-04-30 Buy
Sigma-Aldrich 257508 2,3,4-Trimethylpentane 98% 565-75-3 25g $368 2026-04-30 Buy
TCI Chemical T0482 2,3,4-Trimethylpentane >99.0%(GC) 565-75-3 5mL $514 2026-04-30 Buy
Matrix Scientific 172537 2,3,4-Trimethylpentane 565-75-3 10g $100 2021-12-16 Buy
AK Scientific 7982AF 2,3,4-Trimethylpentane 565-75-3 5ml $375 2021-12-16 Buy
Product number Packaging Price Buy
257508 5g $94.9 Buy
257508 25g $368 Buy
T0482 5mL $514 Buy
172537 10g $100 Buy
7982AF 5ml $375 Buy

2,3,4-Trimethylpentane Chemical Properties, Uses, Production

Chemical Properties

Clear, colorless, flammable, watery liquid with a mild aliphatic hydrocarbon odor resembling hexane.

Uses

2,3,4-Trimethylpentane (2,3,4- tmp) is an isomeric compound of octane with an EC50 of 16.3 mM for 2,3,4- tmp.It can be used for its infrared spectroscopic studies and for biological activity studies such as the urinary metabolites of the potent nephrotoxic hydrocarbons 2,3,4- tmp in Fischer-344 male rats by gavage. Study. In addition, exposure of rat renal proximal tubules to 2,3,4-tmp resulted in structural changes that caused increased mitochondrial swelling, increased vesiculation, decreased microvilli and nuclear shrinkage[1-3].

Definition

ChEBI: 2,3,4-trimethylpentane is an alkane that is pentane substituted by a methyl group at positions 2,3 and 4. It is a constituent of gasoline. It has a role as a mammalian metabolite and a nephrotoxic agent. It is an alkane and a volatile organic compound.

General Description

Kinetics and mechanism of reaction of OH radicals with 2,3,4-trimethylpentane in the presence of NO has been investigated. Kinetics of reactions of C6H5 radical with 2,3,4-trimethylpentane has been measured by cavity ringdown spectrometry.

Source

Schauer et al. (1999) reported 2,3,4-trimethylpentane in a diesel-powered medium-duty truck exhaust at an emission rate of 310 μg/km.
California Phase II reformulated gasoline contained 2,3,4-trimethylpentane at a concentration of 13.0 g/kg. Gas-phase tailpipe emission rates from gasoline-powered automobiles with and without catalytic converters were 2.51 and 412 mg/km, respectively (Schauer et al., 2002).

Environmental Fate

Photolytic. Atkinson (1990) reported a rate constant of 7.0 x 10-12 cm3/moleculesec for the reaction of 2,3,4-trimethylpentane and OH radicals in the atmosphere at 298 K. Based on this reaction rate constant, the estimated lifetime is 20 h (Altshuller, 1991).
Chemical/Physical. Complete combustion in air produces carbon dioxide and water vapor.
2,3,4-Trimethylpentane will not hydrolyze because it does not contain a hydrolyzable functional group.

References

[1] G.A. CROWDER; Lorelei G. Vibrational analysis of 2,3,4-trimethylpentane and 2,3,4-trimethylhexane[J]. Journal of Molecular Structure, 1984. DOI:10.1016/0022-2860(84)85188-1.
[2] CARL T. OLSON . The metabolism of 2,3,4-trimethylpentane in male fischer-344 rats[J]. Toxicology letters, 1987. DOI:10.1016/0378-4274(87)90132-9.
[3] N.J. DELRASO; C. S G; D R Mattie. Lack of detectable metabolism for solubilized 2,3,4-trimethylpentane by rat kidney proximal tubules[J]. Toxicology letters, 1990. DOI:10.1016/0378-4274(90)90201-V.

2,3,4-Trimethylpentane synthesis

67-56-1
563-79-1
74-88-4
513-35-9
565-75-3
75-28-5
79-29-8
594-56-9
106-97-8
Synthesis of 2,3,4-Trimethylpentane from Methanol and 2,3-Dimethyl-2-butene and Iodomethane

2,3,4-Trimethylpentane Preparation Products And Raw materials

Raw materials

2,3,4-Trimethyl-2-pentene Isobutane 2,3-Dimethylbutane Ethylene 2-Butene

Preparation Products

2,2,3-Trimethylpentane 2,3,3-Trimethylpentane 2,4-Dimethylpentane

2,3,4-Trimethylpentane Suppliers

Global Suppliers ( 85)
Supplier Tel Email Country ProdList Advantage
Meryer (Shanghai) Chemical Technology Co., Ltd. 4006356688 18621169109 market03@meryer.com China 40202 62
Alfa Aesar 400-6106006 saleschina@alfa-asia.com China 30103 84
TCI (Shanghai) Development Co., Ltd. 021-67121386 Sales-CN@TCIchemicals.com China 24512 81
Energy Chemical 400-0056266 sales8178@energy-chemical.com China 44850 61
Shanghai Longsheng chemical Co.,Ltd. 58099637 13585536065 sales@shlschem.com China 9880 59
Sichuan Kulinan Technology Co., Ltd 400-1166-196 18981987031 cdhxsj@163.com China 11674 57
TOKYO CHEMICAL INDUSTRY CO., LTD. 03-36680489 Sales-JP@TCIchemicals.com Japan 28364 80
Shanghai BeiZhuo Biotech Co., Ltd. 021-61119791,13386096464 bzswkf@foxmail.com China 3916 50
Sigma-Aldrich 021-61415566 800-8193336 orderCN@merckgroup.com China 51389 80
Shanghai YuanYe Biotechnology Co., Ltd. 15026964105 2881489226@qq.com China 89667 60
Supplier Advantage
Meryer (Shanghai) Chemical Technology Co., Ltd. 62
Alfa Aesar 84
TCI (Shanghai) Development Co., Ltd. 81
Energy Chemical 61
Shanghai Longsheng chemical Co.,Ltd. 59
Sichuan Kulinan Technology Co., Ltd 57
TOKYO CHEMICAL INDUSTRY CO., LTD. 80
Shanghai BeiZhuo Biotech Co., Ltd. 50
Sigma-Aldrich 80
Shanghai YuanYe Biotechnology Co., Ltd. 60

View Latest Price from 2,3,4-Trimethylpentane manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
2,3,4-TRIMETHYLPENTANE pictures 2026-09-02 2,3,4-TRIMETHYLPENTANE
565-75-3
 $1.00-100.00 1KG 99% Henan Fengda Chemical Co., Ltd
2,3,4-TRIMETHYLPENTANE pictures 2026-05-15 2,3,4-TRIMETHYLPENTANE
565-75-3
 $1.10 1g 99.0% Min 100 Tons Shaanxi Didu New Materials Co. Ltd
2,3,4-TRIMETHYLPENTANE pictures 2026-03-20 2,3,4-TRIMETHYLPENTANE
565-75-3
 $10.00 1KG 99% 10 mt Hebei Chuanghai Biotechnology Co., Ltd

2,3,4-Trimethylpentane Spectrum

2,3,4-TRIMETHYLPENTANE(565-75-3)MS2,3,4-TRIMETHYLPENTANE(565-75-3)1HNMR2,3,4-TRIMETHYLPENTANE(565-75-3)13CNMR2,3,4-TRIMETHYLPENTANE(565-75-3)IR12,3,4-TRIMETHYLPENTANE(565-75-3)IR22,3,4-TRIMETHYLPENTANE(565-75-3)Raman

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(CH3)2CHCH(CH3)CH(CH3)2 2,3,4-trimethyl-pentan 2,3,4-Trimethylpentane,>99% 2,3,4-Trimethylpentane > 2,3,4-TRIMETHYLPENTANE ISO 9001：2015 REACH 2,3,4-Trimethylpentane, ≥ 99.0% 2,3,4-Trimethylpentane in methanol Tivozanib Impurity 5 Pentane, 2,3,4-trimethyl- 2,3,4-Trimethylpentane 565-75-3 565753 Alkanes Acyclic Building Blocks Organic Building Blocks Building Blocks Chemical Synthesis Organic Building Blocks Acyclic Alkanes Organic Building Blocks