1,5-Hexadiene

HCID 11598CAS 592-42-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
C=CCCC=C
InChIKey
PYGSKMBEVAICCR-UHFFFAOYSA-N
분자식
C6H10
평균 분자량
82.14 g/mol
단동위원소 질량
82.07825032

개요

structure in first source

이름 및 식별자

우선 이름
1,5-Hexadiene
IUPAC
hexa-1,5-diene
현지명
1,5-헥사다이엔
영어명
1,5-Hexadiene
분자식
C6H10
분자량
82.14

이름 및 동의어

1,5-HEXADIENE592-42-7DiallylBiallylHexadiene (DOT)alpha,omega-HexadieneDTXSID40493234MTZ4764FINSC-60690DTXCID9029279RefChem:73512209-754-7
이름 더 보기
1,5-헥사다이엔1,5-헥사다이엔(1,5-HEXADIENE)HexadieneDKSI041DKFELEX0280Biallyl~Diallyl1,5-Hexanediene
Hexa-1,5-diene.alpha.,.omega.-HexadieneMFCD0000866625067-96-3EINECS 209-754-7NSC 60690UNII-4MTZ4764FI1,5-Hexadiene, 97%

데이터베이스 식별자

CAS
592-42-7
PubChem CID
11598
DTXSID
DTXSID4049323
ChEMBL
CHEMBL31747
UNII
4MTZ4764FI
EC Number
209-754-7
Nikkaji
J6.762H

물성

구조 계산 물성

XLogP
2.9
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
3
무거운 원자 수
6

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesSchoenflies notation
LogP2.87
Vapor Pressure221.0 [mmHg]
Physical Description · 2건

Liquid

Colorless liquid; [MSDSonline]

물리화학적 성질

녹는점
141 °C · −141 °C(lit.)
끓는 점
60 °C · 60 °C(lit.)
밀도
0.692 g/mL · 0.692 g/mL at 25 °C(lit.)
증기압
367 mm · 367 mm Hg ( 37.7 °C)
굴절률
20 · n20/D 1.404(lit.)
인화점
17 °F · −17 °F

화학적 성질

clear colorless to slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, 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 270 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 1,5-Hexadiene

1,5-Hexadiene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,5-Hexadiene are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 19-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/26451

Hazards SummaryAn irritant; [MSDSonline] See 1,4-Hexadiene.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (rat) > 110,000 ppm/4h

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
MM1997800
ridadr
UN 2458
HS 번호
29012990
risk_code
11-36/37/38-65

화학 및 산업

용도 및 제조

U.S. Production2023: 210,279 lb
Consumer UsesIntermediate
Industry UsesIntermediate
General Manufacturing Information · 2건

All Other Chemical Product and Preparation Manufacturing

1,5-Hexadiene: ACTIVE

응용 분야

용도1,5-Hexadiene is used to study the Pd(II)-catalyzed cycloisomerization of functionalized 1,5-hexadienes.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shochem(Shanghai) Co.,Ltd86-21-50800795 · [email protected]

추가 설명

정의Although not a fragrance material, this hydrocarbon may occasionally be used as part of industrial masking odours, and it may also appear as an impurity in various perfume chemicals.

관련 반응

28건
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