디메틸-2.4-헥사디엔

Biisocrotyl

HCID 12992CAS 764-13-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(C)=CC=C(C)C
InChIKey
DZPCYXCBXGQBRN-UHFFFAOYSA-N
분자식
C8H14
평균 분자량
110.2 g/mol
단동위원소 질량
110.10955045

개요

2,5-Dimethyl-2,4-hexadiene is an alkadiene.

이름 및 식별자

우선 이름
Biisocrotyl
IUPAC
2,5-dimethylhexa-2,4-diene
현지명
디메틸-2.4-헥사디엔
영어명
2,5-Dimethyl-2,4-hexadiene
분자식
C8H14
분자량
110.2

이름 및 동의어

2,5-DIMETHYL-2,4-HEXADIENE764-13-6BiisocrotylBiisobutenylDiisocrotyl2,5-Dimethylhexa-2,4-diene2,4-Hexadiene, 2,5-dimethyl-NSC 10812EE5YRI32X6EINECS 212-115-5AI3-26989NSC-10812
이름 더 보기
2,5-다이메틸-2,4-헥사다이엔디메틸-2.4-헥사디엔DiMethyl-2,4-hexaTIMTEC-BB SBB0087582,5-Dimethyl-2,4-hex(CH3)2C=CHCH=C(CH3)2
DTXSID30221161,1,4,4-TETRAMETHYLBUTA-1,3-DIENERefChem:5683362,5Dimethylhexa2,4diene2,4Hexadiene, 2,5dimethylDTXCID102116InChI=1/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4HUNII-EE5YRI32X6

데이터베이스 식별자

CAS
764-13-6
PubChem CID
12992
DTXSID
DTXSID3022116
ChEBI
CHEBI:88821
UNII
EE5YRI32X6
EC Number
212-115-5
Nikkaji
J34.958E

물성

구조 계산 물성

XLogP
3.6
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
1
무거운 원자 수
8

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesDensity
Vapor Pressure17.6 [mmHg]
Physical DescriptionLiquid; mp = 12-14 deg C; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
12 °C · 12 °C
끓는 점
132134 °C · 132134°C
밀도
0.773 g/mL · 0.773 g/mL at 25 °C(lit.)
증기 밀도
3.8 · 3.8 (vs air)
증기압
26.9 mm · 26.9 mm Hg ( 37.7 °C)
굴절률
20 · n20/D 1.476(lit.)

화학적 성질

clear colourless liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H226: Flammable liquid and vapor [Warning Flammable liquids]

유해성 정보

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See 1,4-Hexadiene.
Hazard Classes and Categories · 2건

Flam. Liq. 3 (100%)

Flammable liquids - Category 3

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 3295 3/PG 3
HS 번호
29012900
risk_code
10-36/37/38-20/21/22
hazard_code
Xi,Xn

화학 및 산업

용도 및 제조

General Manufacturing Information2,4-Hexadiene, 2,5-dimethyl-: ACTIVE
응용 분야 · 2건

용도2,5-dimethyl-2,4-hexadiene is a volatile alkyl compound present in tobacco smoke. It is used as a potential biomarker in breath for prediction of lung cancer.

일반 설명2,5-Dimethyl-2,4-hexadiene is an electron-rich alkene. It induces photodechlorination of 9,10-dichloroanthracene and its mechanism has been investigated. Asymmetric cyclopropanation of 2,5-dimethyl-2,4-hexadiene with tert-butyl diazoacetate catalyzed by the new copper-bisoxazoline complex has been reported. 2,5-Dimethyl-2,4-hexadiene has been investigated as a singlet oxygen acceptor in various solvents. Mechanism of addition reaction of aromatic and aliphatic thiols with 2,5-dimethyl-2,4-hexadiene has been investigated.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

관련 반응

14건
반응 기록 만들기

연결된 노트

불러오는 중…