(4R)-1,2-エポキシ-4-(2-メチルオキシラニル)-1-メチルシクロヘキサン
Limonene diepoxide
基本情報
- CAS
96-08-2- 標準SMILES
CC1(C2CCC3(C)OC3C2)CO1- InChIKey
RBHIUNHSNSQJNG-UHFFFAOYSA-N- 分子式
- C10H16O2
- 平均分子量
- 168.23 g/mol
- 単同位体質量
- 168.11502975
概要
limonene diepoxide has been reported in Cryptomeria japonica, Nicotiana tabacum, and Zingiber officinale with data available.
名称と識別子
- 優先名称
- Limonene diepoxide
- IUPAC
- 1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
- 現地名
- (4R)-1,2-エポキシ-4-(2-メチルオキシラニル)-1-メチルシクロヘキサン
- 英語名
- 1-Methyl-4-(2-methyloxiranyl)-7-oxabicyclo[4.1.0]heptane
- 分子式
- C10H16O2
- 分子量
- 168.23
名称と別名
Limonene dioxide96-08-2Limonene diepoxideDipentene dioxide1-Methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptaneDipentene diepoxideDipentene oxideUnox epoxide 269Epoxide 269Unox 269Unoxat epoxide 2691,2,8,9-Diepoxylimonene
名称をさらに表示
1,2-エポキシ-4-(2-メチルオキシラニル)-1-メチルシクロヘキサンジペンテンジオキシド(+)-リモネンジエポキシドウノキサットエポキシド269ジペンテンジエポキシド1-メチル-4-(2-メチルオキシラニル)-7-オキサビシクロ[4.1.0]ヘプタンα-リモネンジエポキシドウノックス2691,2:8,9-ジエポキシリモネン1-メチル-4-(2-メチルオキシラン-2-イル)-7-オキサビシクロ[4.1.0]ヘプタン3-(2-メチルオキシラニル)-6-メチル-7-オキサビシクロ[4.1.0]ヘプタン(4R)-1-メチル-4β-(2-メチルオキシラニル)-7-オキサビシクロ[4.1.0]ヘプタンリモネンジエポキシド(4R)-1,2-エポキシ-4-(2-メチルオキシラニル)-1-メチルシクロヘキサンウノックスエポキシド269エポキシド2691-(2-メチルオキシラニル)-4-メチル-3,4-エポキシシクロヘキサン1,2:8,9-ジエポキシ-p-メンタンリモネンジオキシド1-メチル-4-(2-メチルオキシラン-2-イル)-1,2-エポキシシクロヘキサン7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(2-methyloxiranyl)-LDOunox269epoxide269CINENE DIOXIDEdipenteneoxide
diepoxylimonenep-Menthane, 1,2:8,9-diepoxy-1,2:8,9-DIEPOXY-P-MENTHANEMenthane, 1,2:8,9-diepoxy-.alpha.-Limonene diepoxideM6TUW5WEJ91-METHYL-4-(2-METHYLOXIRANYL)-7-OXABICYCLO[4.1.0]HEPTANENSC 30545
データベース識別子
- CAS
96-08-2- PubChem CID
- 232703
- ChEMBL
CHEMBL1880461- UNII
- M6TUW5WEJ9
- EC Number
- 202-475-1
- Nikkaji
- J20.670I
物性
構造計算による物性
- XLogP
- 1.1
- 極性表面積
- 25.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 1
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 228
実験および物理化学的性質
PolymersPlastics & Rubber -> Epoxides
OdorMILD METHANOL LIKE ORDOR
Density1.0287 @ 20 °C/4 °C
Color/FormCOLORLESS LIQUID
SolubilitySLIGHTLY SOL IN WATER; MISCIBLE WITH METHANOL AND BENZENE; MISCIBLE WITH CARBON TETRACHLORIDE AND HEXANE
Flash Point
118 °C
118 °C OC
Boiling Point242 °C
Melting PointFREEZING POINT: -100 °C
Vapor Density7.40
Vapor Pressure
0.02 [mmHg]
0.02 MM HG @ 20 °C
Physical Description
Liquid
Colorless liquid with an odor of methanol; [HSDB]
Other Experimental Properties1 PPM= APPROX 6.87 MG/CU M @ 25 °C, 760 MM HG; 1 MG/L=APPROX 145 PPM @ 25 °C, 760 MM HG
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
This chemical does not meet GHS hazard criteria for 4.8% (4 of 84) of reports.
Warning
H312 (95.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]
P264+P265, P280, P302+P352, P305+P351+P338, P317, P321, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 84 reports by companies from 7 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: 7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(2-methyloxiranyl)-
7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(2-methyl-2-oxiranyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(2-methyl-2-oxiranyl)- 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)
7-Oxabicyclo4.1.0heptane, 1-methyl-4-(2-methyloxiranyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryEmergency treatment: irritants; [HSDB] May cause irritation; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 4 (95.2%)
毒性情報
Human Toxicity ExcerptsSLIGHT TOXICITY BY THE ORAL ROUTE AND PRACTICALLY NONTOXIC PERCUTANEOUSLY...NO CASES OF SENSITIZATION HAVE BEEN REPORTED.
Non-Human Toxicity Excerpts
化学と産業
用途と製造
Uses
Used to make plasticizers, epoxy resins, and drugs; [Hawley]
PHARMACETICALS
IT HAS BEEN SUGGESTED AS DILUENT FOR EPOXY RESINS, AS AN INTERMEDIATE IN THE PREPN OF MODIFIED ALKYD RESINS, A PLASTICIZER, LUBRICANT ADDITIVE, AND CHEMICAL INTERMEDIATE.
U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesOdor agents
Industry UsesIntermediates
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(2-methyl-2-oxiranyl)-: ACTIVE
上流・下流製品情報
上流原料
関連反応
5 件
化合物ノート
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