基本情報
- CAS
57499-57-7- 標準SMILES
CC(=O)C1(C)CC=C(CCC=C(C)C)CC1C- InChIKey
QKKSNZVRCDPKTC-UHFFFAOYSA-N- 分子式
- C16H26O
- 平均分子量
- 234.38 g/mol
- 単同位体質量
- 234.19836545
名称と識別子
- 優先名称
- 1-[1,6-Dimethyl-4-(4-methyl-3-penten-1-yl)-3-cyclohexen-1-yl]ethanone
- IUPAC
- 1-[1,6-dimethyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanone
- 現地名
- 1-[1,6-ジメチル-4-(4-メチル-3-ペンテニル)-3-シクロヘキセン-1-イル]エタノン
- 英語名
- 1-[1,6-dimethyl-4-(4-methylpent-3-enyl)-3-cyclohexen-1-yl]ethan-1-one
- 分子式
- C16H26O
- 分子量
- 234.38
名称と別名
Z4PJ4QZ0KOEthanone, 1-(1,6-dimethyl-4-(4-methyl-3-pentenyl)-3-cyclohexen-1-yl)-EINECS 260-772-1UNII-Z4PJ4QZ0KO1-[1,6-DIMETHYL-4-(4-METHYLPENT-3-ENYL)-3-CYCLOHEXEN-1-YL]ETHAN-1-ONEDTXSID1041924EC 260-772-11-(1,6-Dimethyl-4-(4-methyl-3-penten-1-yl)-3-cyclohexen-1-yl)ethanone1-(1,6-Dimethyl-4-(4-methylpent-3-enyl)-3-cyclohexen-1-yl)ethan-1-oneEthanone, 1-(1,6-dimethyl-4-(4-methyl-3-penten-1-yl)-3-cyclohexen-1-yl)-Ethanone, 1-[1,6-dimethyl-4-(4-methyl-3-penten-1-yl)-3-cyclohexen-1-yl]-Ethanone, 1-[1,6-dimethyl-4-(4-methyl-3-pentenyl)-3-cyclohexen-1-yl]-
名称をさらに表示
1-[1,6-ジメチル-4-(4-メチル-3-ペンテニル)-3-シクロヘキセン-1-イル]エタノン1-[1,6-ジメチル-4-(4-メチルペンタ-3-エン-1-イル)シクロヘキサ-3-エン-1-イル]エタン-1-オン1-[1,6-Dimethyl-4-(4-methyl-3-pentenyl)-3-cyclohexen-1-yl]ethanone
1-[1,6-Dimethyl-4-(4-methyl-3-penten-1-yl)-3-cyclohexen-1-yl]ethanoneRefChem:73886DTXCID902192457499-57-71-[1,6-dimethyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]ethan-1-one1-(1,6-dimethyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl)ethanone1-(1,6-Dimethyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl)ethan-1-oneSCHEMBL7706265
物性
構造計算による物性
- XLogP
- 4
- 極性表面積
- 17.1 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
- 4
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 345
実験および物理化学的性質
Physical DescriptionLiquid
物理化学的性質
- 沸点
- 309.3 · 309.3±41.0 °C(Predicted)
- 比重(密度)
- 0.886 · 0.886±0.06 g/cm3(Predicted)
- EPAの化学物質情報
- 1 · Ethanone, 1-[1,6-dimethyl-4-(4-methyl-3-pentenyl)-3-cyclohexen-1-yl]- (57499-57-7)
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 100% (8 of 8) of all reports.
Not Classified
Aggregated GHS information provided per 8 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Ethanone, 1-[1,6-dimethyl-4-(4-methyl-3-pentenyl)-3-cyclohexen-1-yl]-
Ethanone, 1-[1,6-dimethyl-4-(4-methyl-3-penten-1-yl)-3-cyclohexen-1-yl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanone, 1-[1,6-dimethyl-4-(4-methyl-3-penten-1-yl)-3-cyclohexen-1-yl]- 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)
REACH registered substance: 1-[1,6-dimethyl-4-(4-methylpent-3-enyl)-3-cyclohexen-1-yl]ethan-1-one (EC: 260-772-1)
Hazard Classes and CategoriesNot Classified
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
U.S. Production2023: 2,880,961 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Ethanone, 1-[1,6-dimethyl-4-(4-methyl-3-penten-1-yl)-3-cyclohexen-1-yl]-: ACTIVE
サプライヤー1 社
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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