기본 정보
- CAS
565-75-3- 표준 SMILES
CC(C)C(C)C(C)C- InChIKey
RLPGDEORIPLBNF-UHFFFAOYSA-N- 분자식
- C8H18
- 평균 분자량
- 114.23 g/mol
- 단동위원소 질량
- 114.14085057
개요
2,3,4-trimethylpentane is an alkane that is pentane substituted by a methyl group at positions 2,3 and 4. It is a constituent of gasoline. It has a role as a nephrotoxic agent and a mammalian metabolite. It is a volatile organic compound and an alkane.
이름 및 식별자
- 우선 이름
- 2,3,4-Trimethylpentane
- IUPAC
- 2,3,4-trimethylpentane
- 현지명
- 2,3,4-트리메틸펜탄
- 영어명
- 2,3,4-Trimethylpentane
- 분자식
- C8H18
- 분자량
- 114.23
이름 및 동의어
2,3,4-TRIMETHYLPENTANE565-75-3Pentane, 2,3,4-trimethyl-2,3,4-Trimethyl-pentaneWOJ1QVR6OANSC-24846DTXSID6060343CHEBI:165735RefChem:81340DTXCID1042079209-292-6Pentane,3,4-trimethyl-
이름 더 보기
2,3,4-트리메틸펜탄Tivozanib Impurity 52,3,4-trimethyl-pentan(CH3)2CHCH(CH3)CH(CH3)22,3,4-Trimethylpentane >2,3,4-Trimethylpentane,>99%2,3,4-Trimethylpentane, ≥ 99.0%2,3,4-Trimethylpentane in methanol2,3,4-TRIMETHYLPENTANE ISO 9001：2015 REACH
MFCD000089244-01-00-00446 (Beilstein Handbook Reference)2,3,4-Trimethylpentane Solution in Methanol, 1000ug/mLUNII-WOJ1QVR6OAEINECS 209-292-6NSC 24846BRN 1696869NSC24846
데이터베이스 식별자
- CAS
565-75-3- PubChem CID
- 11269
- DTXSID
DTXSID6060343- ChEBI
CHEBI:165735
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 45.1
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesBoiling point
Vapor Pressure27.1 [mmHg]
Physical DescriptionColorless liqiud; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- -110 °C · -110 °C (lit.)
- 끓는 점
- 113 · 113-114 °C (lit.)
- 밀도
- 0.719 g/mL · 0.719 g/mL at 25 °C (lit.)
- 증기압
- 27 at · 27.0 at 25 °C (Wilhoit and Zwolinski, 1971)
- 굴절률
- 20 · n20/D 1.404(lit.)
- 인화점
- 5 °C · 5°C
- 용해도
- Soluble in acetone, alcohol, benzene, chloroform, ether (Weast, 1986); miscible with many aliphatic hydrocarbons
- 산도 계수 (pKa)
- 14 · >14 (Schwarzenbach et al., 1993)
- 물리적 상태
- 투명한 액체
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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 Information2,3,4-Trimethylpentane: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses changes in urine composition in 2-week intermittent oral studies of rats; [RTECS] May cause irritation; Inhalation may cause CNS depression; An aspiration hazard by ingestion (may cause lung damage); [Alfa Aesar MSDS]
Hazard Classes and Categories
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)
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)
General Manufacturing InformationPentane, 2,3,4-trimethyl-: ACTIVE
응용 분야
용도2,3,4-Trimethylpentane (2,3,4- tmp) is an isomeric compound of octane with an EC50 of 16.3 mM for 2,3,4- tmp.It can be used for its infrared spectroscopic studies and for biological activity studies such as the urinary metabolites of the potent nephrotoxic hydrocarbons 2,3,4- tmp in Fischer-344 male rats by gavage. Study. In addition, exposure of rat renal proximal tubules to 2,3,4-tmp resulted in structural changes that caused increased mitochondrial swelling, increased vesiculation, decreased microvilli and nuclear shrinkage[1-3].
일반 설명Kinetics and mechanism of reaction of OH radicals with 2,3,4-trimethylpentane in the presence of NO has been investigated. Kinetics of reactions of C6H5 radical with 2,3,4-trimethylpentane has been measured by cavity ringdown spectrometry.
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