디메틸헥산(2.2)

2,2-Dimethylhexane

HCID 11551CAS 29222-48-8
부분 구조 검색유사 구조 찾기

기본 정보

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

개요

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

이름 및 식별자

우선 이름
2,2-Dimethylhexane
IUPAC
2,2-dimethylhexane
현지명
디메틸헥산(2.2)
영어명
2,2-DIMETHYLHEXANE
분자식
C8H18
분자량
114.23

이름 및 동의어

2,2-DIMETHYLHEXANE590-73-8Hexane, 2,2-dimethyl-MFCD0000948529222-48-8G1EH35W01HNSC-1740652,2-Dimethyl hexaneEINECS 209-689-4Hexane,2-dimethyl-NSC1740652,2-dimethyl-hexane
이름 더 보기
2,2-다이메틸헥세인디메틸헥산(2.2)(CH3)3C(CH2)3CH32,2-DIMETHYLHEXANE 99%2,2,5-Trimethylpentane2,2-Dimethylhexane >N-BUTYLTRIMETHYLMETHANEn-ButyltrimethylmathaneN-BUTYLTRIMETHYLMETHANE 99%
NSC 174065UNII-G1EH35W01HSCHEMBL42740SCHEMBL43611SCHEMBL56455SCHEMBL56456SCHEMBL827562,2-Dimethylhexane, 98%

데이터베이스 식별자

CAS
29222-48-8、590-73-8
PubChem CID
11551
DTXSID
DTXSID9073200
UNII
G1EH35W01H
EC Number
209-689-4
Nikkaji
J43.422A

물성

구조 계산 물성

XLogP
4.1
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
Flavoring AgentsEU Flavoring substances
Vapor Pressure34.0 [mmHg]
Physical DescriptionClear, colorless liquid; [Aldrich MSDS]

물리화학적 성질

녹는점
-121.1 ℃ · -121.1℃
끓는 점
107 °C · 107 °C (lit.)
밀도
0.693 g/mL · 0.693 g/mL at 25 °C (lit.)
증기압
1.22 psi · 1.22 psi ( 37.7 °C)
굴절률
20 · n20/D 1.393(lit.)
인화점
26 °F · 26 °F

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 (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)

유해성 정보

Regulatory Information · 2건

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

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

Hazards SummaryAn irritant; Inhalation may cause drowsiness or dizziness; Harmful by ingestion (may cause lung damage by aspiration); [Aldrich MSDS]
Hazard Classes and Categories · 3건

Flam. Liq. 2 (100%)

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
HS 번호
2901.10.5000
risk_code
11-38-50/53-65-67
hazard_code
F,Xn,N
safety_code
9-16-29-33-60-61-62

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 · 1건

일반 설명2,2-Dimethylhexane is one of the products of the corona discharge of a simulated Titan′s atmosphere (2% argon in nitrogen and 10% methane) at 500 Torr and 298 K (using GC-FTIR-MS techniques). It was used to study the adsorption of linear and branched alkanes on a microporous silicoaluminophosphate material (SAPO-5) using chromatographic techniques.

상·하류 제품 정보

공급사1 곳

SKC Inc.[email protected]

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