2,3,4-trimethylpentane

Modify Date: 2026-07-14 18:27:00

2,3,4-trimethylpentane Structure
2,3,4-trimethylpentane structure
Common Name 2,3,4-trimethylpentane
CAS Number 565-75-3 Molecular Weight 114.229
Density 0.7±0.1 g/cm3 Boiling Point 113.5±7.0 °C at 760 mmHg
Molecular Formula C8H18 Melting Point −110 °C(lit.)
MSDS N/A Flash Point 5.0±0.0 °C

Summary: 2,3,4-trimethylpentane (Chinese name), also known as 2,3,4-trimethylpentane (English name), with CAS number 565-75-3, has a molecular formula of C8H18 and a molecular weight of 114.229. For research-use only, not for medical or clinical usage.


 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 2,3,4-trimethylpentane
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 0.7±0.1 g/cm3
Boiling Point 113.5±7.0 °C at 760 mmHg
Melting Point −110 °C(lit.)
Molecular Formula C8H18
Molecular Weight 114.229
Flash Point 5.0±0.0 °C
Exact Mass 114.140854
LogP 4.45
Vapour Pressure 24.5±0.1 mmHg at 25°C
Index of Refraction 1.397
InChIKey RLPGDEORIPLBNF-UHFFFAOYSA-N
SMILES CC(C)C(C)C(C)C

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SA3321500
CHEMICAL NAME :
Pentane, 2,3,4-trimethyl-
CAS REGISTRY NUMBER :
565-75-3
BEILSTEIN REFERENCE NO. :
1696869
LAST UPDATED :
199710
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C8-H18

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8 mL/kg/2W-I
TOXIC EFFECTS :
Kidney, Ureter, Bladder - other changes in urine composition
REFERENCE :
TOXID9 Toxicologist. (Soc. of Toxicology, Inc., 475 Wolf Ledge Parkway, Akron, OH 44311) V.1- 1981- Volume(issue)/page/year: 5,58,1985

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes F,Xn,N
Risk Phrases R11;R38;R50/53;R65
Safety Phrases S9-S16-S29-S33-S60-S61-S62
RIDADR UN 3295 3/PG 2
WGK Germany 3
RTECS SA3321500
Packaging Group II
Hazard Class 3

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

2,3,4,5,6-PENTAFLUOROPHENYL2-CHLOROBENZENESULFONATE
Pentane,2,3,4-trimethyl
Pentane,3,4-trimethyl
MFCD00008924
2,3,4-trimethylpentane
2,3,4-trimethyl pentane
2,3,4-Trimethyl-pentan
EINECS 209-292-6

 2,3,4-trimethylpentane | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the CAS number of 2,3,4-trimethylpentane?
A: CAS number of 2,3,4-trimethylpentane is 565-75-3.
Q: What is the melting point of 2,3,4-trimethylpentane?
A: Melting point of 2,3,4-trimethylpentane is −110 °C(lit.).
Q: What English synonyms does 2,3,4-trimethylpentane have?
A: English synonyms of 2,3,4-trimethylpentane: 2,3,4,5,6-PENTAFLUOROPHENYL2-CHLOROBENZENESULFONATE, Pentane,2,3,4-trimethyl, Pentane,3,4-trimethyl, MFCD00008924, 2,3,4-trimethylpentane, 2,3,4-trimethyl pentane, 2,3,4-Trimethyl-pentan, EINECS 209-292-6.
Q: What is the molecular weight of 2,3,4-trimethylpentane?
A: Molecular weight of 2,3,4-trimethylpentane is 114.229.
Q: What is the LogP of 2,3,4-trimethylpentane?
A: LogP of 2,3,4-trimethylpentane is 4.45.
Q: What are the upstream materials of 2,3,4-trimethylpentane?
A: Related upstream materials(CAS) of 2,3,4-trimethylpentane: 106-98-9;565-77-5;115-11-7;107-01-7;75-28-5;67-56-1;563-79-1;74-88-4;54509-73-8;78-78-4.
Q: What is the SMILES notation of 2,3,4-trimethylpentane?
A: SMILES notation of 2,3,4-trimethylpentane is CC(C)C(C)C(C)C.
Q: What is the boiling point of 2,3,4-trimethylpentane?
A: Boiling point of 2,3,4-trimethylpentane is 113.5±7.0 °C at 760 mmHg.
Q: What are the downstream products of 2,3,4-trimethylpentane?
A: Related downstream products(CAS) of 2,3,4-trimethylpentane: 565-59-3;464-06-2;563-80-4;1712-64-7;75-07-0;67-64-1;95-47-6;106-42-3;66793-95-1;55719-99-8.
Q: What is the InChIKey of 2,3,4-trimethylpentane?
A: InChIKey of 2,3,4-trimethylpentane is RLPGDEORIPLBNF-UHFFFAOYSA-N.

 2,3,4-trimethylpentanefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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