CAS 31394-54-4 2-Methylhexane (HCID 11582)

概要

2-methylhexane is an alkane.

名称と識別子

優先名称: 2-Methylhexane
IUPAC: 2-methylhexane
現地名: イソヘプタン
英語名: ISOHEPTANE
分子式: C7H16
分子量: 100.199996948242

名称と別名

2-METHYLHEXANE591-76-4Hexane, 2-methyl-D 726NSC-24840YI4679P2SPDTXSID5052256RefChem:1113269209-730-6ISOHEPTANEIsobepane31394-54-4

名称をさらに表示

イソヘプタンイソヘプタン(異性体混合物)イソヘプタン (分岐鎖ヘプタン異性体混合物)ISOHEPTANESDifferent heptaneIsobepane(mixture of isomers)isoheptanes(mixtureofisomericbranchedchainheptanes)Isoheptane (mixture of isomeric branched chain heptanes)

MFCD00009487Isoheptanes Solution, 100 mg/L, 1 ml2-Methylhexane Solution in Methanol, 1000ug/mLEINECS 209-730-6NSC 24840UNII-YI4679P2SP2-methyl-hexaneEINECS 250-610-8

データベース識別子

CAS: 31394-54-4、591-76-4
PubChem CID: 11582
DTXSID: DTXSID5052256
ChEMBL: CHEMBL1797267
ChEBI: CHEBI:230545
UNII: YI4679P2SP
EC Number: 209-730-6、250-610-8
Nikkaji: J43.564C

物性

構造計算による物性

XLogP: 3.7
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 3
重原子数: 7
形式電荷: 0
複雑度: 29

実験および物理化学的性質

SolventsSolvents -> Aliphatics, Saturated (<C12)

SpringerMaterials PropertiesBoiling point

DensityRelative density (water = 1): 0.68

SolubilitySolubility in water: none

Flash Point-18 °C c.c.

Boiling Point90 °C

物理化学的性質

融点: 25.5 °C · 25.5 °C
沸点: 89.3 · 89.3-89.4 °C(Press: 748 Torr)
比重(密度): 0.6842 g/cm3 · 0.6842 g/cm3(Temp: 15 °C)
闪点: -11 °C · -11 °C
臭気閾値(Odor Threshold): 0.42 ppm · 0.42ppm
CAS データベース: 31394 · 31394-54-4
EPAの化学物質情報: Isoheptane (31394-54-4)

安全と法規制

GHS分類

GHS Classification · 6 件

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: 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)

危険有害性情報

Regulatory Information · 4 件

Chemical: Isoheptane

REACH registered substance: Isoheptane (EC: 250-610-8)

Isoheptane: 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.

2-Methylhexane: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsHighly flammable. Vapour/air mixtures are explosive.

Hazards Summary · 1 件

Causes tremor and dyspnea in acute inhalation studies of rats; [RTECS] Ingestion can cause aspiration into the lungs; Inhalation of high concentrations may cause CNS effects; [ICSC] An irritant; Inhalation may cause drowsiness and dizziness; An aspiration hazard by ingestion (may cause lung damage); [Sigma-Aldrich MSDS]

EC ClassificationSymbol: F, Xn, N; R: 11-38-50/53-65-67; S: (2)-9-16-29-33-60-61-62; Note: C

UN ClassificationUN Hazard Class: 3; UN Pack Group: II

Chemical DangersHeating may cause violent combustion or explosion. Reacts with strong oxidants.

安全と保護具

Fire FightingNO water. Use alcohol-resistant foam, powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4 件

Fresh air, rest.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Do NOT induce vomiting.

Safe StorageFireproof. Separated from strong oxidants.

Exposure Control and Personal Protection500.0 [ppm]

Spillage Disposal · 1 件

Remove all ignition sources. Evacuate danger area! Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer.

Eye PreventionWear safety spectacles.

毒性情報

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 Routes · 2 件

The substance can be absorbed into the body by inhalation of its vapour and by ingestion.

Oral (T29) ; inhalation (T29) ; dermal (T29)

Toxicity SummaryPetroleum distillates are central nervous system depressants and cause pulmonary damage. (A600)

Signs and Symptoms · 4 件

Headache. Nausea. Vomiting. Dizziness.

Dry skin.

Further see Inhalation.

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)

安全データ

tsca: TSCA listed

化学と産業

薬理情報

Metabolism/MetabolitesVolatile hydrocarbons are absorbed mainly through the lungs, and may also enter the body after ingestion via aspiration. (A600)

用途と製造

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 13 consumer products that contain Hexane, 2-methyl- Hexane, 2-methyl- in the following categories is provided:

General Manufacturing Information · 2 件

Hexane, 2-methyl-: ACTIVE

Isoheptane: ACTIVE

応用分野 · 1 件

使用Isoheptane is a hydrocarbon compound commonly used in chemical production and experimental research. It is used as a component of anti-explosive materials and as an extraction solvent for the extraction of corn oil from whole germ. In addition, it is used in statistical thermodynamic studies of the isomerisation reactions of n-heptane and isoheptane[1-3].

イソヘプタン

基本情報

概要