7-メトキシ-3,7-ジメチル-1-オクテン
1-Octene, 7-methoxy-3,7-dimethyl-
基本情報
- CAS
53767-86-5- 標準SMILES
C=CC(C)CCCC(C)(C)OC- InChIKey
WKBYNERMZLXALA-UHFFFAOYSA-N- 分子式
- C11H22O
- 平均分子量
- 170.29 g/mol
- 単同位体質量
- 170.16706532
名称と識別子
- 優先名称
- 1-Octene, 7-methoxy-3,7-dimethyl-
- IUPAC
- 7-methoxy-3,7-dimethyloct-1-ene
- 現地名
- 7-メトキシ-3,7-ジメチル-1-オクテン
- 英語名
- 7-methoxy-3,7-dimethyloct-1-ene
- 分子式
- C11H22O
- 分子量
- 170.29
名称と別名
53767-86-51-Octene, 7-methoxy-3,7-dimethyl-7-Methoxy-3,7-dimethyl-1-octeneEINECS 258-750-1DTXSID30866358RefChem:76785DTXCID408146487-Methoxy-3,7-dimethyloct-1-ene7-methoxy-3,7-dimethyl-oct-1-ene1-methoxy-1,1,5-trimethylhept-6-ene3,7-Dimethyl-7-methoxy-1-octene2,6-dimethyloct-7-en-2-yl methyl ether
名称をさらに表示
7-メトキシ-3,7-ジメチル-1-オクテン3,7-ジメチル-7-メトキシ-1-オクテン7-メトキシ-3,7-ジメチルオクタ-1-エン
SCHEMBL11029225MFCD00218464SBB001674STK676390AKOS003604512AKOS016347365ST4054490CS-0327041
データベース識別子
- CAS
53767-86-5- PubChem CID
- 103825
- DTXSID
DTXSID30866358- EC Number
- 258-750-1
- Nikkaji
- J296.039G
物性
構造計算による物性
- XLogP
- 3.4
- 極性表面積
- 9.2 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
- 6
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 127
実験および物理化学的性質
FragrancesFragrance Ingredient (7-Methoxy-3,7-dimethyloct-1-ene) -> IFRA transparency List
物理化学的性質
- 沸点
- 70.5 · 70.5-71 °C(Press: 10 Torr)
- 比重(密度)
- 0.813 · 0.813[at 20℃]
- 化粧品成分の機能
- 香料
- LogP
- 3.788 · 3.788 (est)
- EPAの化学物質情報
- 1 · 1-Octene, 7-methoxy-3,7-dimethyl- (53767-86-5)
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% (94 of 94) of all reports.
Not Classified
Aggregated GHS information provided per 94 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 1-Octene, 7-methoxy-3,7-dimethyl-
REACH registered substance: 7-methoxy-3,7-dimethyloct-1-ene (EC: 258-750-1)
Hazard Classes and CategoriesNot Classified
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
IFRA Fragrance Standards
7-Methoxy-3,7-dimethyloct-1-ene
7-Methoxy-3,7-dimethyloct-1-ene; 1-Octene, 7-methoxy-3,7-dimethyl-
IFRA_STD_264.pdf
51
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Use ClassificationFragrance Ingredients
General Manufacturing Information1-Octene, 7-methoxy-3,7-dimethyl-: ACTIVE
Restriction Limits in the Finished Product (%)
0.000010 [Products applied to the lips]
0.000010 [Products applied to the axillae]
0.000010 [Products applied to the face/body using fingertips]
0.000010 [Products related to fine fragrances]
0.042 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.000010 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
上流・下流製品情報
下流製品
関連反応
2 件
化合物ノート
読み込み中…