기본 정보
- CAS
108-08-7- 표준 SMILES
CC(C)CC(C)C- InChIKey
BZHMBWZPUJHVEE-UHFFFAOYSA-N- 분자식
- C7H16
- 평균 분자량
- 100.2 g/mol
- 단동위원소 질량
- 100.12520051
개요
2,4-Dimethylpentane is a hydrocarbon and one of the isomers of heptane. Heptanes may be found in gasoline and are widely used as solvents. They are also sold as fuel for outdoor stoves. (L1289)
이름 및 식별자
- 우선 이름
- 2,4-Dimethylpentane
- IUPAC
- 2,4-dimethylpentane
- 현지명
- 2,4-디메틸펜탄
- 영어명
- 2,4-Dimethylpentane
- 분자식
- C7H16
- 분자량
- 100.2
이름 및 동의어
2,4-DIMETHYLPENTANE108-08-7Pentane, 2,4-dimethyl-2,4-dimethyl-pentane4JT8Q9QOHINSC-61989DTXSID2059358RefChem:82544DTXCID0033099203-548-0DiisopropylmethaneMFCD00008945
이름 더 보기
2,4-다이메틸펜테인2,4-다이메틸펜탄2,4-디메틸펜탄디이소프로필메탄DimethylpentaneHeptan und Isomere2,4-dimethyl-pentan2,4-Dimethylpentane >2,4-DIMETHYLPENTANE 99+%2,4-Dimethylpentane, 98+%C12728400 2,4-Dimethylpentane
pentane,2,4-dimethyl-UNII-4JT8Q9QOHINSC61989EINECS 203-548-0NSC 61989SCHEMBL38321SCHEMBL38322SCHEMBL40590
데이터베이스 식별자
- CAS
108-08-7- PubChem CID
- 7907
- DTXSID
DTXSID2059358- UNII
- 4JT8Q9QOHI
- EC Number
- 203-548-0
- Nikkaji
- J43.409D
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 29.3
실험 및 물리화학적 성질
Chemical ClassesFlammable agents - 3rd degree
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesSchoenflies notation
Vapor Pressure79.4 [mmHg]
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 123 °C · −123 °C(lit.)
- 끓는 점
- 80 °C · 80 °C(lit.)
- 밀도
- 0.673 g/mL · 0.673 g/mL at 25 °C(lit.)
- 증기 밀도
- 3.48 · 3.48 (vs air)
- 증기압
- 3.29 psi · 3.29 psi ( 37.7 °C)
- 굴절률
- 20 · n20/D 1.381(lit.)
- 인화점
- 10 °F · 10 °F
- 용해도
- 아세톤, 벤젠, 클로로포름, 알코올 및 에테르에 용해됩니다.
- 산도 계수 (pKa)
- 14 · >14 (Schwarzenbach et al., 1993)
- 물리적 상태
- liquid
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 Information
Pentane, 2,4-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazards Summary
Similar compounds demonstrate a low order of acute oral, dermal, and inhalation toxicity in experimental animals; adverse neurological effects and histopathological liver changes in repeated-dose inhalation studies; limited evidence of teratogenicity and adverse effects to male reproductive system; no strong evidence of mutagenicity; [EPA ChAMP: Hazard Characterization] A skin irritant; Has a narcotic effect; Harmful by ingestion (may cause lung damage by aspiration); [Alfa Aesar MSDS] See n-Heptane.
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable liquid - category 2
Flammable agents - 3rd degree
Flam. Liq. 2
안전 및 보호
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
Uses
A minor constituent of commercial hexane mixtures; [ExPub: EPA - PPRTV] Comprises approximately 35% of the C4-6 isopentene rich reaction products (IRRP) fraction stream (CAS# 108083-88-9); [EPA ChAMP: Hazard Characterization]
Heptanes may be found in gasoline and are widely used as solvents. They are also sold as fuel for outdoor stoves. (L1289)
Household ProductsInformation on 2 consumer products that contain 2,4-Dimethylpentane in the following categories is provided:
General Manufacturing InformationPentane, 2,4-dimethyl-: ACTIVE
응용 분야
용도It is not only used for synthesizing WeiNiGuan, but also used in binder and coating industry. It is used for synthesizing resin fiber. It is also used as intermediates and adhesives in oil drop coagulation thickener.
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