기본 정보
- CAS
560-21-4- 표준 SMILES
CCC(C)(C)C(C)C- InChIKey
OKVWYBALHQFVFP-UHFFFAOYSA-N- 분자식
- C8H18
- 평균 분자량
- 114.23 g/mol
- 단동위원소 질량
- 114.14085057
개요
2,3,3-trimethylpentane is a branched alkane that is pentane carrying one methyl group at positions 2, and two methyl groups at position 3. It has a role as a mammalian metabolite, a bacterial metabolite and a human metabolite. It is a volatile organic compound and an alkane.
이름 및 식별자
- 우선 이름
- 2,3,3-Trimethylpentane
- IUPAC
- 2,3,3-trimethylpentane
- 현지명
- 2,3,3-트리메틸펜탄
- 영어명
- 2,3,3-TRIMETHYLPENTANE
- 분자식
- C8H18
- 분자량
- 114.23
이름 및 동의어
2,3,3-TRIMETHYLPENTANE560-21-4Pentane, 2,3,3-trimethyl-J62AAG7FN0NSC-77447EINECS 209-207-2NSC 77447UNII-J62AAG7FN0BRN 1696865NSC77447233-TrimethylpentanePentane,3,3-trimethyl-
이름 더 보기
2,3,3-트리메틸펜탄2,3,3-trimethyl-pentanC2H5C(CH3)2CH(CH3)22,3,3-Trimethylpentane in methanolASTM? D5134 2,3,3-TrimethylpentaneASTM D5134 2,3,3-TRIMETHYLPENTANE, 500MG , NEAT
2,3,3-trimethyl-pentane4-01-00-00445 (Beilstein Handbook Reference)SCHEMBL100145SCHEMBL135476SCHEMBL216168SCHEMBL216169SCHEMBL232207SCHEMBL449072
데이터베이스 식별자
- CAS
560-21-4- PubChem CID
- 11215
- DTXSID
DTXSID2060333- ChEBI
CHEBI:143849- UNII
- J62AAG7FN0
- EC Number
- 209-207-2
- Nikkaji
- J44.096E
물성
구조 계산 물성
- XLogP
- 3.8
- 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
- 60.4
실험 및 물리화학적 성질
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesBoiling point
Vapor Pressure27.0 [mmHg]
Physical DescriptionLiquid; [Aldrich MSDS]
물리화학적 성질
- 녹는점
- -100.93 °C · -100.93°C
- 끓는 점
- 114.77 °C · 114.77°C
- 밀도
- 0.722 · 0.7220
- 굴절률
- 1.4052 · 1.4052
- 인화점
- -6 ℃ · -6℃
- 저장 조건
- room temp
- 비열
- 2.15 J/ · Cp(liquid): 2.15 J/(g·K), at 25℃
- Henry's Law Constant
- 2.1 · 2.1×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- EPA
- 2 · Pentane, 2,3,3-trimethyl- (560-21-4)
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
Hazards SummaryA skin irritant; May cause lung injury if ingested; Inhalation of vapor may cause drowsiness or dizziness; [ESIS] An irritant; Inhalation may cause drowsiness and dizziness; Aspiration hazard by ingestion; Targets the CNS; [Aldrich 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)
Adverse EffectsNeurotoxin - Acute solvent syndrome
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, 2,3,3-trimethyl-: ACTIVE
상·하류 제품 정보
상류 원료
하류 제품
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