2,5-Dimethylhexane

HCID 11592CAS 592-13-2
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기본 정보

표준 SMILES
CC(C)CCC(C)C
InChIKey
UWNADWZGEHDQAB-UHFFFAOYSA-N
분자식
C8H18
평균 분자량
114.23 g/mol
단동위원소 질량
114.14085058

개요

2,5-Dimethylhexane is a hydrocarbon and one of the isomers of octane. Octanes may be found in gasoline. (L1296)

이름 및 식별자

우선 이름
2,5-Dimethylhexane
IUPAC
2,5-dimethylhexane
현지명
디메틸헥산(2.5)
영어명
2,5-Dimethylhexane
분자식
C8H18
분자량
114.23

이름 및 동의어

2,5-DIMETHYLHEXANE592-13-2BiisobutylHexane, 2,5-dimethyl-PCS13D63P8NSC-74172DTXSID4073201RefChem:82959DTXCID7042564209-745-82,5-DIMETHYL HEXANEMFCD00008951
이름 더 보기
2,5-다이메틸헥세인2,5-디메틸헥세인디메틸헥산(2.5)2,5-디메틸헥산DIISOBUTYLhexane,2,5-dimethyl-2,5-Dimethylhexane,99%2,5-Dimethylhexane >2,5-Dimethylhexane in methanol
NSC74172EINECS 209-745-8Hexane,5-dimethyl-NSC 741722,5-dimethyl-hexaneUNII-PCS13D63P8SCHEMBL26458SCHEMBL57015

데이터베이스 식별자

CAS
592-13-2
PubChem CID
11592
DTXSID
DTXSID4073201
UNII
PCS13D63P8
EC Number
209-745-8
Nikkaji
J43.425F

물성

구조 계산 물성

XLogP
4
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
3
무거운 원자 수
8

실험 및 물리화학적 성질

SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesBoiling point
Vapor Pressure30.3 [mmHg]
Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점
-91 °C · -91 °C
끓는 점
108 °C · 108 °C (lit.)
밀도
0.694 g/mL · 0.694 g/mL at 25 °C (lit.)
증기압
1.1 psi · 1.1 psi ( 37.7 °C)
굴절률
20 · n20/D 1.392(lit.)
인화점
80 °F · 80 °F

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

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 (91.9%): 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)

유해성 정보

Regulatory Information2,5-Dimethylhexane: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; Inhalation may cause drowsiness and dizziness; An aspiration hazard by ingestion (may cause lung damage); [Sigma-Aldrich MSDS]
Hazard Classes and Categories · 3건

Flam. Liq. 2 (91.9%)

Flammable liquid - category 2

Flam. Liq. 2

독성 정보

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 · 1건

Petroleum distillate poisoning may cause nausea, vomiting, cough, pulmonary irritation progressing to pulmonary edema, bloody sputum, and bronchial pneumonia. At high amounts, central nervous system depression may also occur, with symptoms such as weakness, dizziness, slow and shallow respiration, unconsciousness, and convulsions. Petroleum distillates are also irritating to the skin. (A594)

안전 데이터

wgk
3
ridadr
UN 3295 3/PG 2
risk_code
10-38-50/53-65-67-11
hazard_code
Xn,N,F
safety_code
9-16-29-33-60-61-62
포장분류
II

화학 및 산업

약리 정보

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

용도 및 제조

UsesOctanes may be found in gasoline. (L1296)

응용 분야

용도2,5-Dimethylhexane has been used to study excess entropy scaling relationships for analyzing its kinetic properties using molecular simulation.

상·하류 제품 정보

공급사36 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]

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