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基本情報
- CAS
41890-92-0- 標準SMILES
COC(C)(C)CCCC(C)C(C)O- InChIKey
ZJVRYPHKSDHLTC-UHFFFAOYSA-N- 分子式
- C11H24O2
- 平均分子量
- 188.31 g/mol
- 単同位体質量
- 188.17763
名称と識別子
- 優先名称
- 3,7-Dimethyl-7-methoxyoctan-2-ol
- IUPAC
- 7-methoxy-3,7-dimethyloctan-2-ol
- 現地名
- 7-メトキシ-3,7-ジメチル-2-オクタノール
- 英語名
- 7-methoxy-3,7-dimethyloctan-2-ol
- 分子式
- C11H24O2
- 分子量
- 188.31
名称と別名
3,7-dimethyl-7-methoxyoctan-2-olRefChem:8118377-Methoxy-3,7-dimethyloctan-2-ol41890-92-0MethoxyelgenolElesantDihydromethoxyelgenolmethoxytrimethylheptanol2-Octanol, 7-methoxy-3,7-dimethyl-3,7-Dimethyl-7-methoxy-2-octanolB5M2LIP7ILOsirol
名称をさらに表示
7-メトキシ-3,7-ジメチル-2-オクタノール7-メトキシ-3,7-ジメチルオクタン-2-オールSANDAL OXIDEsandal octanolSandal Octanol (Osyrol)7-Methoxy-3,7-dimethyl-2-octanol
EINECS 255-574-7UNII-B5M2LIP7ILBRN 19210247-methoxy-3,7-dimethyl-octan-2-ol2-Octanol, 3,7-dimethyl-7-methoxy-SCHEMBL114177DTXSID5052090BBL018509
データベース識別子
- CAS
41890-92-0- PubChem CID
- 162053
- DTXSID
DTXSID5052090- UNII
- B5M2LIP7IL
- EC Number
- 255-574-7
- Nikkaji
- J278.284G
物性
構造計算による物性補完中
- XLogP
- 2.3
- 極性表面積
- 29.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 6
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 132
物理化学的性質
- 沸点
- 263.33 °C · 263.33°C (rough estimate)
- 比重(密度)
- 0.9217 · 0.9217 (rough estimate)
- 屈折率
- 1.426 · 1.4260 (estimate)
- 酸解離定数(Pka)
- 15.1 · 15.10±0.20(Predicted)
- 臭い (Odor)
- 100 %で。スイート · 100.00%で。スイート サンダルウッド ソーピー フローラル ウッディ
- においのタイプ
- 木質の
- 化粧品成分の機能
- 香料香料
- LogP
- 2.134 · 2.134 (est)
- EPAの化学物質情報
- 2 · 2-Octanol, 7-methoxy-3,7-dimethyl- (41890-92-0)
化学的性質
化学的特性7-Methoxy-3,7-dimethyl-2-octanol is a clear, almost colorless liquid with sandalwood odor, which has a floral, woody note. It is not known to have been found in nature. 7-Methoxy-3,7-dimethyl-2-octanol is prepared by hydrochlorination of dihydromyrcene, methoxylation of the resulting 2-chloro-2,6-dimethyl-7-octene, and epoxidation. The alcohol is obtained by hydrogenation of the epoxide in the presence of Raney nickel and triethylamine. It is used in perfumery as a top note in high-quality sandalwood compositions for cosmetics, toiletries, and soaps.
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 99.2% (1573 of 1586) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 1573 of 1586 companies (only 0.8% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 1586 reports by companies from 4 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1573 of 1586 reports by companies.；There are 2 notifications provided by 13 of 1586 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: 2-Octanol, 7-methoxy-3,7-dimethyl-
2-Octanol, 7-methoxy-3,7-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
法規制情報
Regulatory Information
Chemical: 2-Octanol, 7-methoxy-3,7-dimethyl-
2-Octanol, 7-methoxy-3,7-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
Use ClassificationFragrance Ingredients
General Manufacturing Information2-Octanol, 7-methoxy-3,7-dimethyl-: ACTIVE
上流・下流製品情報
上流原料
サプライヤー22 社
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
吉水县益康天然香料油提炼厂0796-8128936 19070600085 · [email protected]
安徽进博香料有限公司15102127101 15556562013 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
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