Basic information
- CAS
108-08-7- Standard SMILES
CC(C)CC(C)C- InChIKey
BZHMBWZPUJHVEE-UHFFFAOYSA-N- Molecular formula
- C7H16
- Average molar mass
- 100.2 g/mol
- Monoisotopic mass
- 100.12520051
Overview
2,4-Dimethylpentane 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
- 2,4-Dimethylpentane
- IUPAC
- 2,4-dimethylpentane
- English name
- 2,4-Dimethylpentane
- Molecular formula
- C7H16
- Molecular weight
- 100.2
Names & synonyms
2,4-DIMETHYLPENTANE108-08-7Pentane, 2,4-dimethyl-2,4-dimethyl-pentane4JT8Q9QOHINSC-61989DTXSID2059358RefChem:82544DTXCID0033099203-548-0DiisopropylmethaneMFCD00008945
Show more names
DimethylpentaneHeptan und Isomere2,4-dimethyl-pentan2,4-Dimethylpentane >2,4-DIMETHYLPENTANE 99+%2,4-Dimethylpentane, 98+%C12728400 2,4-Dimethylpentane
pentane,2,4-dimethyl-UNII-4JT8Q9QOHINSC61989EINECS 203-548-0NSC 61989SCHEMBL38321SCHEMBL38322SCHEMBL40590
Database identifiers
- CAS
108-08-7- PubChem CID
- 7907
- DTXSID
DTXSID2059358- UNII
- 4JT8Q9QOHI
- EC Number
- 203-548-0
- Nikkaji
- J43.409D
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 29.3
Experimental & physicochemical properties
Chemical ClassesFlammable agents - 3rd degree
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesSchoenflies notation
Vapor Pressure79.4 [mmHg]
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 123 °C · −123 °C(lit.)
- Boiling point
- 80 °C · 80 °C(lit.)
- Density
- 0.673 g/mL · 0.673 g/mL at 25 °C(lit.)
- vapor density
- 3.48 · 3.48 (vs air)
- vapor pressure
- 3.29 psi · 3.29 psi ( 37.7 °C)
- refractive index
- 20 · n20/D 1.381(lit.)
- Flash point
- 10 °F · 10 °F
- solubility
- Soluble in acetone, benzene, chloroform, alcohol and ether.
- pka
- 14 · >14 (Schwarzenbach et al., 1993)
- form
- liquid
- color
- Colorless to Almost colorless
- Odor Threshold
- 0.94 ppm · 0.94ppm
- explosive limit
- 7 % · ~7%
- Water Solubility
- 4.41 mg/L · 4.41mg/L(25 ºC)
- Thermal Conductivity
- 0.102 W/ · 0.102 W/(m·K) at 25 ℃
- Specific Heat Capacity
- 2.24 J/ · Cp(liquid): 2.24 J/(g·K), at 25℃
- BRN
- 1696855 · 1696855
- Henry's Law Constant
- 2.94 · 2.94(atmm3/mol) at 25 °C (Mackay and Shiu, 1981)
- Exposure limits
- 200 ppm;TLV-STEL:400 · ACGIH TLV-TWA:200 ppm;TLV-STEL:400 ppm
- Dielectric constant
- 1.9 · 1.9(-7℃)
- InChI
- 1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3
- InChIKey
- BZHMBWZPUJHVEE-UHFFFAOYSA-N
- SMILES
- CC(C)CC(C)C
- CAS DataBase Reference
- 108 · 108-08-7(CAS DataBase Reference)
- FDA UNII
- 4 JT8Q9QOHI · 4JT8Q9QOHI
- EPA Substance Registry System
- 2 · 2,4-Dimethylpentane (108-08-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 315 · H315-H336-H304-H410-H225
- Precautionary statements
- 501 · P501-P273-P240-P261-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 · 11-38-50/53-65-67
- Safety Statements
- 9 · 9-16-29-33-60-61-62
- RIDADR
- 3295 · UN 3295 3/PG 2
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 2901.1 · 2901.10.5000
- HazardClass
- 3 · 3
- PackingGroup
- II
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Flam. Liq. 2Skin Irrit. 2STOT SE 3
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
Pentane, 2,4-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazards Summary
Similar compounds demonstrate a low order of acute oral, dermal, and inhalation toxicity in experimental animals; adverse neurological effects and histopathological liver changes in repeated-dose inhalation studies; limited evidence of teratogenicity and adverse effects to male reproductive system; no strong evidence of mutagenicity; [EPA ChAMP: Hazard Characterization] A skin irritant; Has a narcotic effect; Harmful by ingestion (may cause lung damage by aspiration); [Alfa Aesar MSDS] See n-Heptane.
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable liquid - category 2
Flammable agents - 3rd degree
Flam. Liq. 2
Safety & protection
Exposure Control and Personal Protection500.0 [ppm]
Threshold Limit Values (TLV)
400.0 [ppm]
500.0 [ppm]
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
Heptane affects the central nervous system and may cause lightheadedness, giddiness, stupor, vertigo, incoordination, loss of appetite, nausea, and unconsciousness. Direct skin contact with heptane may cause pain, burning, and itching. (T29)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3295 3/PG 2
- hs_code
- 2901.10.5000
- risk_code
- 11-38-50/53-65-67
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08,GHS09
- hazard_code
- F,Xn,N
- safety_code
- 9-16-29-33-60-61-62
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Central nervous system
- Hazard statements
- H315-H336-H304-H410-H225
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Flam. Liq. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P501-P273-P240-P261-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
Uses
A minor constituent of commercial hexane mixtures; [ExPub: EPA - PPRTV] Comprises approximately 35% of the C4-6 isopentene rich reaction products (IRRP) fraction stream (CAS# 108083-88-9); [EPA ChAMP: Hazard Characterization]
Heptanes 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 2,4-Dimethylpentane in the following categories is provided:
General Manufacturing InformationPentane, 2,4-dimethyl-: ACTIVE
Applications
UsesIt is not only used for synthesizing WeiNiGuan, but also used in binder and coating industry. It is used for synthesizing resin fiber. It is also used as intermediates and adhesives in oil drop coagulation thickener.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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