2,4-Dimethylhexane

HCID 11511CAS 589-43-5
부분 구조 검색유사 구조 찾기

기본 정보

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

개요

2,4-dimethylhexane is an alkane that is hexane carrying a methyl group at positions 2 and 4. It has a role as a human metabolite. It is a volatile organic compound and an alkane. It derives from a hydride of a hexane.

이름 및 식별자

우선 이름
2,4-Dimethylhexane
IUPAC
2,4-dimethylhexane
영어명
2,4-Dimethylhexane
분자식
C8H18
분자량
114.23

이름 및 동의어

2,4-DIMETHYLHEXANE589-43-5Hexane, 2,4-dimethyl-2,4-dimethyl-hexane9A9NBD65O2NSC-74171CHEBI:141561DTXSID60873237RefChem:1059783(+-)-2,4-DimethylhexaneDTXCID509821209-649-6
이름 더 보기
EINECS 292-458-5MFCD00039929(+/-)-2,4-DIMETHYLHEXANE90622-56-32,4-Dimethyl hexaneNSC74171EINECS 209-649-6NSC 74171

데이터베이스 식별자

CAS
589-43-5、90622-56-3
PubChem CID
11511
DTXSID
DTXSID60873237
ChEBI
CHEBI:141561
UNII
9A9NBD65O2
EC Number
209-649-6
Nikkaji
J43.424H

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
Flavoring AgentsEU Flavoring substances
Vapor Pressure30.4 [mmHg]
Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점
25 °C · <25 °C
끓는 점
109.5 °C · 109.5 °C
밀도
0.7083 g/cm3 · 0.7083 g/cm3(Temp: 15 °C)

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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)

2,4-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 (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

신호 어
Danger
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H225

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)

공급사37 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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

관련 반응

0건
반응 기록 만들기

현재 필터 조건에 해당하는 반응 기록이 없습니다.

연결된 노트

불러오는 중…