基本情報
- CAS
286-99-7- 標準SMILES
C1CCCCCC2OC2CCCC1- InChIKey
VLJLXEKIAALSJE-UHFFFAOYSA-N- 分子式
- C12H22O
- 平均分子量
- 182.3 g/mol
- 単同位体質量
- 182.16706532
名称と識別子
- 優先名称
- 13-Oxabicyclo[10.1.0]tridecane
- IUPAC
- 13-oxabicyclo[10.1.0]tridecane
- 現地名
- 1,2-エポキシシクロドデカン
- 英語名
- 1,2-Epoxycyclododecane
- 分子式
- C12H22O
- 分子量
- 182.3
名称と別名
名称をさらに表示
データベース識別子
- CAS
286-99-7- PubChem CID
- 9248
- DTXSID
DTXSID00883355- EC Number
- 206-012-4
- Nikkaji
- J113.652F
物性
構造計算による物性
- XLogP
- 4.4
- 極性表面積
- 12.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 0
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 128
物理化学的性質
- 融点
- -7 °C · -7 °C
- 沸点
- 274 · 274-276 °C(lit.)
- 比重(密度)
- 0.947 g/mL · 0.947 g/mL at 20 °C(lit.)
- 屈折率
- 20 · n20/D 1.481
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 2 · Sealed in dry,2-8°C
- 外見
- clear liquid
- 色
- Colorless to Light yellow
- BRN
- 106689 · 106689
- 化粧品成分の機能
- 香料
- InChI
- 1S/C12H22O/c1-2-4-6-8-10-12-11(13-12)9-7-5-3-1/h11-12H,1-10H2
- InChIKey
- VLJLXEKIAALSJE-UHFFFAOYSA-N
- SMILES
- C1CCCCCC2OC2CCCC1
- LogP
- 4.7 · 4.700
- CAS データベース
- 286 · 286-99-7(CAS DataBase Reference)
- EPAの化学物質情報
- Cyclododecene oxide (286-99-7)
化学的性質
化学的特性clear colorless liquid
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 83% (186 of 224) of all reports.
Warning
H315 (17%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 224 reports by companies from 2 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 186 of 224 reports by companies.;There is 1 notification provided by 38 of 224 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Chemical: 13-Oxabicyclo[10.1.0]tridecane
Status: Active Update: 30-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/18987
13-Oxabicyclo10.1.0tridecane: Does not have an individual approval but may be used under an appropriate group standard
法規制情報
Regulatory Information
Chemical: 13-Oxabicyclo[10.1.0]tridecane
Status: Active Update: 30-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/18987
13-Oxabicyclo10.1.0tridecane: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- F
- 21
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 2910.90.9100
- risk_code
- 38
- 消防法
- 危-4-3-III
- hazard_code
- Xi
- safety_code
- 24/25
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
応用分野
一般的な説明The kinetics of the rearrangement of 1,2-epoxycyclododecane, catalyzed by lithium bromide in the presence of polyethylene glycol 400, was studied.
上流・下流製品情報
上流原料
下流製品
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