基本情報
- CAS
79185-77-6- 標準SMILES
CCC12CO[C@@H](C(C)C)N1[C@H](C(C)C)OC2- InChIKey
ZFNYRUONSKXJOW-RYUDHWBXSA-N- 分子式
- C13H25NO2
- 平均分子量
- 227.34 g/mol
- 単同位体質量
- 227.18852904
名称と識別子
- 優先名称
- 1H,3H,5H-Oxazolo(3,4-c)oxazole, 7a-ethyldihydro-3,5-bis(1-methylethyl)-
- IUPAC
- (3S,5S)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
- 現地名
- 7a-エチルジヒドロ-3,5-ビス(1-メチルエチル)-1H-オキサゾロ[3,4-c]オキサゾール
- 英語名
- 5-Ethyl-2,8-diisopropyl-1-aza-3,7-dioxabicyclo[3.3.0]octane
- 分子式
- C13H25NO2
- 分子量
- 227.34
名称と別名
7a-ethyl-3,5-bis(1-methylethyl)-2,3,4,5-tetrahydrooxazolo(3,4-c)-2,3,4,5-tetrahydrooxazoleEC 417-140-71H,3H,5H-Oxazolo(3,4-c)oxazole, 7a-ethyldihydro-3,5-bis(1-methylethyl)-1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-3,5-bis(1-methylethyl)-7a-ethyl-3,5-bis(1-methylethyl)-2,3,4,5-tetrahydrooxazolo[3,4-c]-2,3,4,5-tetrahydrooxazoleRefChem:4377401H,3H,5H-Oxazolo3,4-coxazole, 7a-ethyldihydro-3,5-bis(1-methylethyl)-417-140-7686-599-579185-77-6(3S,5S)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole7a-エチル-3,5-ビス(プロパン-2-イル)-テトラヒドロ-1H-[1,3]オキサゾロ[3,4-c][1,3]オキサゾール
名称をさらに表示
7a-エチルジヒドロ-3,5-ビス(1-メチルエチル)-1H-オキサゾロ[3,4-c]オキサゾール5-ETHYL-2 8-DIISOPROPYL-1-AZA-3 7-DIOXA&5-ethyl-2,8-diisopropyl-1-aza-3,7-dioxa-bicyclo(31-aza-3,7-dioxobicyclo-2,8-diisopropyl-5-ethyl(3.3.0)octan5-Ethyl-2,8-diisopropyl-1-aza-3,7-dioxabicyclo[3.3.0]octane3h,5h-oxazolo[3,4-c]oxazole,7a-ethyldihydro-3,5-bis(1-methylethyl)-1
物性
構造計算による物性
- XLogP
- 3.3
- 極性表面積
- 21.7 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 3
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 232
物理化学的性質
- 沸点
- 127 °C15 · 127 °C15 mm Hg(lit.)
- 比重(密度)
- 0.955 g/mL · 0.955 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.455(lit.)
- 闪点
- 220 °F · 220 °F
- 溶解性
- ポリオールおよび有機溶剤: 可溶
- 酸解離定数(Pka)
- 5.1 · 5.10±0.70(Predicted)
- EPAの化学物質情報
- 1 H,3H,5H-Oxazolo[3,4-c]oxazole, · 1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-3,5-bis(1-methylethyl)- (79185-77-6)
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
Warning
H315: Causes skin irritation [Warning Skin corrosion/irritation]
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 7a-ethyl-3,5-bis(1-methylethyl)-2,3,4,5-tetrahydrooxazolo[3,4-c]-2,3,4,5-tetrahydrooxazole (EC: 417-140-7)
1H,3H,5H-Oxazolo3,4-coxazole, 7a-ethyldihydro-3,5-bis(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Skin irritation - category 2
Skin Irrit. 2
安全データ
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3082 9/PG 3
- risk_code
- 38-51/53
- hazard_code
- Xi,N
- safety_code
- 37-61
化学と産業
用途と製造
General Manufacturing Information1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-3,5-bis(1-methylethyl)-: ACTIVE
サプライヤー3 社
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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