Methyl 1-methyl-4-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carboxylate
基本情報
- CAS
67392-15-8- 標準SMILES
COC(=O)C1CC2(C(C)C)C=CC1(C)CC2- InChIKey
NXAJZPARDMDLKH-UHFFFAOYSA-N- 分子式
- C14H22O2
- 平均分子量
- 222.32 g/mol
- 単同位体質量
- 222.16197994
名称と識別子
- 優先名称
- Methyl 1-methyl-4-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carboxylate
- IUPAC
- methyl 1-methyl-4-propan-2-ylbicyclo[2.2.2]oct-5-ene-2-carboxylate
- 英語名
- MAHAGONATE
- 分子式
- C14H22O2
- 分子量
- 183.249
名称と別名
67392-15-8DTXSID20867273Bicyclo(2.2.2)oct-5-ene-2-carboxylic acid, 1-methyl-4-(1-methylethyl)-, methyl esterBicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 1-methyl-4-(1-methylethyl)-, methyl esterRefChem:1089248DTXCID50815469Methyl 1-methyl-4-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carboxylate266-678-7Bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, methyl esterMethyl 4-isopropyl-1-methylbicyclo(2.2.2)oct-5-ene-2-carboxylateBicyclo(2.2.2)oct-5-ene-2-carboxylic acid, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, methyl esterEINECS 266-678-7
名称をさらに表示
BUCCOXIMEMAHAGONATE5/6-Carbomethoxy-4-isopropyl-1-methylbicyclo[2.2.2]-2-octenebis(2-ethylhexyl) hydrogen phosphate,2-methylundecan-2-amineBicyclo(2.2.2)oct-5-enecarboxylic acid, 1-methyl-4-isopropyl-, methyl esterbicyclo[2.2.2]oct-5-ene-2-carboxylicacid,1(or4)-methyl-4(or1)-(1-methylethymethyl 4(or 1)-isopropyl-1(or 4)-methylbicyclo[2.2.2]oct-5-ene-2-carboxylate
SCHEMBL1491168NXAJZPARDMDLKH-UHFFFAOYSA-NEINECS 273-453-7Methyl 1-methyl-4-(1-methylethyl)bicyclo(2.2.2)oct-2-ene-6-carboxylatemethyl 1-methyl-4-(propan-2-yl)bicyclo[2.2.2]oct-5-ene-2-carboxylateNS00012913Methyl 1-methyl-4-isopropylbicyclo(2.2.2)oct-5-enecarboxylate2-Bicyclo(2.2.2)octen-5(6)-carbomethoxy, 1-methyl-4-isopropyl-
データベース識別子
- CAS
67392-15-8、68966-86-9- PubChem CID
- 106713
- DTXSID
DTXSID20867273- EC Number
- 266-678-7
- Nikkaji
- J310.242D
物性
構造計算による物性
- XLogP
- 3.9
- 極性表面積
- 26.3 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
- 3
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 332
物理化学的性質
- 沸点
- 270 ℃[at · 270℃[at 101 325 Pa]
- 比重(密度)
- 0.997 · 0.997[at 20℃]
- 蒸気圧
- 4.19 Pa · 4.19Pa at 20℃
- 臭い (Odor)
- 100 %で。木質 · 100.00%で。木質 ドライクリーン マホガニー 湿ったおがくず
- においのタイプ
- 木質の
- 水溶解度
- 14 mg/L · 14mg/L at 20℃
- 化粧品成分の機能
- 香料
- LogP
- 5 at · 5 at 40℃
- EPAの化学物質情報
- 2.2 · Bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, methyl ester (68966-86-9)
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。
危険有害性情報
Regulatory Information
Chemical: Bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 1-methyl-4-(1-methylethyl)-, methyl ester
Chemical: Bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, methyl ester
Bicyclo2.2.2oct-5-ene-2-carboxylic acid, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing Information
Bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 1-methyl-4-(1-methylethyl)-, methyl ester: INACTIVE
Bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, methyl ester: ACTIVE
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