3,3-ジメチル-1-ブテン
3,3-Dimethyl-1-butene
データを補完しています。しばらくしてからページを更新すると最新の内容を表示できます
基本情報
- CAS
558-37-2- 標準SMILES
C=CC(C)(C)C- InChIKey
PKXHXOTZMFCXSH-UHFFFAOYSA-N- 分子式
- C6H12
- 平均分子量
- 84.16 g/mol
- 単同位体質量
- 84.09390038
名称と識別子
- 優先名称
- 3,3-Dimethyl-1-butene
- IUPAC
- 3,3-dimethylbut-1-ene
- 現地名
- 3,3-ジメチル-1-ブテン
- 英語名
- 3,3-Dimethyl-1-butene
- 分子式
- C6H12
- 分子量
- 84.16
名称と別名
3,3-DIMETHYL-1-BUTENE558-37-2Neohexene3,3-Dimethylbut-1-enetert-Butylethylene1-Butene, 3,3-dimethyl-tert-Butylethenetert-HexeneTrimethylvinylmethane3,3-Dimethylbutene2,2-Dimethyl-3-butene3,3-Dimethy-1-butene
名称をさらに表示
3,3-ジメチル-1-ブテン3,3-ジメチルブタ-1-エン2,2-ジメチル-3-ブテンネオヘキセン3,3‐ジメチル‐1‐ブテン3,3-ジメチル-1-ブテン, 95%(CH3)3CCH=CH23,3-DiMethylbut-1-en
UNII-01ZB73D2KKMFCD00008853NSC 7411901ZB73D2KKDTXSID1027211EINECS 209-195-93,3-Dimethyl-1-butene;NeohexeneNSC-74119
データベース識別子
- CAS
558-37-2- PubChem CID
- 11210
- DTXSID
DTXSID1027211- ChEMBL
CHEMBL3183368- UNII
- 01ZB73D2KK
- EC Number
- 209-195-9
- Nikkaji
- J38.822J
物性
構造計算による物性補完中
- XLogP
- 2.7
- 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
- 1
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 45.5
実験および物理化学的性質
Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesCoriolis coupling
Vapor Pressure431.0 [mmHg]
Physical Description
Liquid
Colorless liquid; bp= 40-41 deg C; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- -115 °C · -115 °C (lit.)
- 沸点
- 41 °C · 41 °C (lit.)
- 比重(密度)
- 0.653 g/mL · 0.653 g/mL at 25 °C (lit.)
- 蒸気密度
- 1 · >1 (vs air)
- 蒸気圧
- 6.96 psi · 6.96 psi ( 20 °C)
- 屈折率
- 20 · n20/D 1.376(lit.)
- 闪点
- 20 °F · −20 °F
- 貯蔵温度
- 2 · 2-8°C
- 外見
- 液体
- 色
- 無色透明
- 爆発限界(explosive limit)
- 1.2 % · 1.2%(V)
- 水溶解度
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, 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 69 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 1-Butene, 3,3-dimethyl-
1-Butene, 3,3-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butene, 3,3-dimethyl- 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)
3,3-Dimethyl-1-butene: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Depression noted in rats 1 hour after receiving 5 gm/kg by oral gavage; Rats were prostrate, but no rats died during inhalation exposure to 51,000 ppm for 4 hours; No evidence of skin sensitization in guinea pigs and no evidence of reproductive or developmental toxicity; [EPA ChAMP: C6 Summaries] An irritant; Harmful by ingestion (may cause lung damage by aspiration); [Alfa Aesar MSDS] See 3-Methyl-1-butene.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
毒性情報
Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity Data
化学と産業
用途と製造
UsesUsed as a chemical intermediate; [EPA ChAMP]
U.S. Production2023: 654,414 lb
Industry UsesFuel
General Manufacturing Information
Non-metallic Mineral Product Manufacturing (includes clay, glass, cement, concrete, lime, gypsum, and other non-metallic mineral product manufacturing)
1-Butene, 3,3-dimethyl-: ACTIVE
応用分野
一般的な説明3,3-Dimethyl-1-butene oxidizes selectively to corresponding epoxide by chlorine promoted Ag(111) oxygen adatoms. It undergoes copolymerization with ethylene using a chain-walking Pd-diimine catalyst.
上流・下流製品情報
上流原料
下流製品
関連反応
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化合物ノート
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