2-메틸펜탄

2-메틸펜탄 · 이소핵산 · 이소헥산 · 2-메틸펜테인 · METHYLPENTANE · pentane,2-methyl- · NSC 66496 · Kyowazol C 600

식별자 및 물리적 특성

CAS No.	107-83-5
분자식	C6H14
평균 분자량	86.18 g/mol
단동위원소 질량	86.10955045 g/mol
SMILES	CCCC(C)C
InChIKey	AFABGHUZZDYHJO-UHFFFAOYSA-N
PubChem CID	7892
ChEMBL	CHEMBL30909
ChEBI	CHEBI:88374
EC No.	203-523-4
DTXSID	DTXSID4029143
현지명	2-메틸펜탄

화학 및 물리적 성질

XLogP	3.2
극성 표면적	0
수소 결합 공여자 수	0
수소 결합 수용자 수	0
회전 가능 결합 수	2
무거운 원자 수	6
형식 전하	0
복잡도	21.2
물질 분류	Flammable agents - 3rd degree
Solvents	Solvents -> Aliphatics, Saturated (<C12)
SpringerMaterials Properties	Boiling point
LogP(분배 계수)	3.2 (estimated)
밀도	0.653 at 68 °F (USCG, 1999) - Less dense than waterwill float0.6550 g/cu cm at 25 °CRelative density (water = 1): 0.650.65-0.660.669 @25 °C0.653 g/mL at 25 °C (lit.)
Color/Form	Colorless liquidLiquid or oil
용해도	In water, 14 mg/LSoluble in ethanol, diethyl ethermiscible in acetone, benzene, chloroformSolubility in water: none0.14g/L
인화점	-20 °F (USCG, 1999)-23 °C<20 °F (<-7 °C) (Closed cup)-32 °C c.c.-54 to 19 °F−10 °F
끓는 점	140.5 °F at 760 mmHg (USCG, 1999)60.21 °C60 °C122-145 °F60.3 °C @760 [mm Hg]62 °C (lit.)
녹는점	-244.6 °F (USCG, 1999)-153.6 °C-153 °C-245 to -148 °F-154 °C-154 °C (lit.)
증기 밀도	3.00 (Air = 1)Relative vapor density (air = 1): 3.03 (vs air)
후각 역치	[Hawley] Odor threshold low = 0.2886 mg/m3Odor low: 0.2886 mg/cu mOdor high: 0.2886 mg/cu m
증기압	6.77 psi ( 37.7 °C)
굴절률	n20/D 1.371(lit.)
저장 조건	Store below +30°C.
물리적 상태	액체
색상	무색의
후각 역치	7ppm
폭발한계	1.2-7.4%(V)
용해도	알코올, 에테르, 아세톤, 클로로포름과 섞입니다. 물과 섞이지 않습니다.
비열	Cp(liquid): 2.25 J/(g·K), at 25℃
BRN	1730735
헨리 상수	0.697, 0.694, 0.633, 0.825, and 0.848 (atmm3/mol)at 10, 15, 20, 25, and 30 °C, respectively (EPICS, Ashworth et al., 1988)
유전율	1.8899999999999999
안정성	안정적인. 가연성이 높습니다. 가스/증기 혼합물은 일부 농도에서 폭발할 수 있습니다.
InChI	1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3
InChIKey	AFABGHUZZDYHJO-UHFFFAOYSA-N
SMILES	C(CCC)(C)C
LogP(분배 계수)	3.214 at 25℃ and pH7
EPA	2-Methylpentane (107-83-5)

화학적 성질

2-Methylpentane (isohexane), C6H14, is a flammable liquid with a specific gravity of 0.653. It occurs naturally in petroleum and gas and as a plant volatile. It is found in sources associated with petroleum products such as petroleum manufacture, natural gas, turbines, and automobiles.

안전 및 규제

GHS 분류	DangerH225: 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)H225 (99.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]
규제 정보	Chemical: Pentane, 2-methyl-Pentane, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentane, 2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 23-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12540Status: Active Update: 09-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/245972-Methylpentane: Does not have an individual approval but may be used under an appropriate group standardIsohexane: 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.
운송 라벨(DOT)	Flammable Liquid
화재 위험	Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:Highly flammable. Vapour/air mixtures are explosive.
건강 유해성	Inhalation causes irritation of respiratory tract, cough, mild depression, cardiac arrhythmias. Aspiration causes severe lung irritation, coughing, pulmonary edemaexcitement followed by depression. Ingestion causes nausea, vomiting, swelling of abdomen, headache, depression. (USCG, 1999)Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
유해성 요약	Causes narcosis in mice at 30,000 ppm in 30-60 minutes[ACGIH] No listed effects of short-term or long-term exposure[ICSC] An eye irritant[HSDB] Inhalation of high concentrations can cause CNS depression[CHEMINFO] An irritantInhalation of high concentrations may cause CNS effects

용도

2-Methylpentane is employed as a raw material, rubber solvent and vegetable oil extraction solvent. It is also used as a solvent in adhesives. Further, it is used as an intermediate in organic synthesis and finds application in food, preservatives, cosmetics, pharmaceuticals, beverages and flavor enhancer.

일반 설명

Watery liquid with a gasoline-like odor, Floats on water. Produces an irritating vapor.

제조 및 합성 방법

생산 방법

Isohexane is manufactured by fractional distillation of gasoline derived from crude oil or liquid product derived from natural gas.