1,5-Hexadiene

HCID 11598CAS 592-42-7
部分構造検索類似構造を探す

基本情報

標準SMILES
C=CCCC=C
InChIKey
PYGSKMBEVAICCR-UHFFFAOYSA-N
分子式
C6H10
平均分子量
82.14 g/mol
単同位体質量
82.07825032

概要

structure in first source

名称と識別子

優先名称
1,5-Hexadiene
IUPAC
hexa-1,5-diene
現地名
1,5-ヘキサジエン
英語名
1,5-Hexadiene
分子式
C6H10
分子量
82.14

名称と別名

1,5-HEXADIENE592-42-7DiallylBiallylHexadiene (DOT)alpha,omega-HexadieneDTXSID40493234MTZ4764FINSC-60690DTXCID9029279RefChem:73512209-754-7
名称をさらに表示
1,5-ヘキサジエンジアリルヘキサ-1,5-ジエンビアリル1,5-ヘキサンジエンHexadieneDKSI041DKFELEX0280Biallyl~Diallyl1,5-Hexanediene
Hexa-1,5-diene.alpha.,.omega.-HexadieneMFCD0000866625067-96-3EINECS 209-754-7NSC 60690UNII-4MTZ4764FI1,5-Hexadiene, 97%

データベース識別子

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

物性

構造計算による物性

XLogP
2.9
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
3
重原子数
6

実験および物理化学的性質

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

Liquid

Colorless liquid; [MSDSonline]

物理化学的性質

融点
141 °C · −141 °C(lit.)
沸点
60 °C · 60 °C(lit.)
比重(密度)
0.692 g/mL · 0.692 g/mL at 25 °C(lit.)
蒸気圧
367 mm · 367 mm Hg ( 37.7 °C)
屈折率
20 · n20/D 1.404(lit.)
闪点
17 °F · −17 °F

化学的性質

化学的特性clear colorless to slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 3 件

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%)

毒性情報

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

安全データ

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

化学と産業

用途と製造

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

All Other Chemical Product and Preparation Manufacturing

1,5-Hexadiene: ACTIVE

応用分野

用途有機合成原料。

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

調製方法

純化方法Distil 1,5-hexadiene from NaBH4. [Beilstein 1 IV 1013.]

上流・下流製品情報

サプライヤー50 社

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]

補足説明

定義Although 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.

関連反応

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