基本情報
- CAS
27236-46-0- 標準SMILES
C=C(C)CCCC- InChIKey
IRUDSQHLKGNCGF-UHFFFAOYSA-N- 分子式
- C7H14
- 平均分子量
- 98.19 g/mol
- 単同位体質量
- 98.10955045
概要
structure in first source
名称と識別子
- 優先名称
- 2-Methyl-1-hexene
- IUPAC
- 2-methylhex-1-ene
- 現地名
- 2-メチル-1-ヘキセン
- 英語名
- 2-Methyl-1-hexene
- 分子式
- C7H14
- 分子量
- 98.19
名称と別名
2-METHYL-1-HEXENE6094-02-6methyl hexeneDTXSID9052505V54TLV711MNSC-73924DTXCID3031078RefChem:87994228-041-12-Methylhex-1-ene1-Hexene, 2-methyl-MFCD00009486
名称をさらに表示
2-メチル-1-ヘキセン2-BUTYLPROPENEn-C4H9C(CH3)=CH22-methyl-hex-1-eneTIMTEC-BB SBB0090682-Methyl-1-hexene>2-METHYL-1-HEXENE 97%2-Methyl-1-hexene,98%1-butyl-1-methylethylene
IsohexenesNSC73924UNII-D5X88K64VKUNII-V54TLV711M2-Methyl-1-hexene, 96%SCHEMBL108471SCHEMBL349402SCHEMBL387657
データベース識別子
- CAS
27236-46-0、6094-02-6- PubChem CID
- 22468
- DTXSID
DTXSID9052505- UNII
- V54TLV711M
- EC Number
- 228-041-1
- Nikkaji
- J100.686J
物性
構造計算による物性
- XLogP
- 3.6
- 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
- 7
- 形式電荷
- 0
- 複雑度
- 53.1
実験および物理化学的性質
Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesBoiling point
Vapor Pressure60.9 [mmHg]
Physical DescriptionClear, colorless liquid; [Aldrich MSDS]
物理化学的性質
- 融点
- -102.87 °C · -102.87°C
- 沸点
- 92 °C · 92 °C (lit.)
- 比重(密度)
- 0.697 g/mL · 0.697 g/mL at 25 °C (lit.)
- 蒸気密度
- 1 · 1 (vs air)
- 屈折率
- 20 · n20/D 1.403(lit.)
- 闪点
- 20 °F · 20 °F
- 貯蔵温度
- Flammables area
- 外見
- clear liquid
- 色
- Colorless to Almost colorless
- BRN
- 1732738 · 1732738
- Henry's Law Constant
- 1.7 · 1.7×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
- InChI
- 1S/C7H14/c1-4-5-6-7(2)3/h2,4-6H2,1,3H3
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Fire Hazards· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health HazardsCAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas.
Hazards SummaryHighly flammable; An irritant; [Aldrich MSDS] See Hexene.
DOT ID and Guide2288 128
DOT Hazard Classification
Isohexenes
UN2288
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG II: the degree of danger presented by the material is medium
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
安全と保護具
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
化学と産業
応用分野
一般的な説明2-Methyl-1-hexene is a less reactive olefin that is hydroformylated in the presence of phosphite-modified rhodium catalysts. The epoxidation of 2-methyl-1-hexene is catalyzed by human and rat P450 enzymes.
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…