基本情報
- CAS
2242-10-6- 標準SMILES
C=CC(CCCCC)OC(C)=O- InChIKey
DOJDQRFOTHOBEK-UHFFFAOYSA-N- 分子式
- C10H18O2
- 平均分子量
- 170.25 g/mol
概要
1-Octen-3-yl acetate is a carboxylic ester.
名称と識別子
- 優先名称
- 1-Octen-3-yl acetate
- IUPAC
- oct-1-en-3-yl acetate
- 英語名
- 1-OCTEN-3-YL ACETATE
- 分子式
- C21H28O3
- 分子量
- 328.45
名称と別名
1-Octen-3-yl acetateOct-1-en-3-yl acetate2442-10-61-OCTEN-3-OL, ACETATE1-Pentylallyl acetate3-Acetoxy-1-octene1-Octen-3-ol, 3-acetateFEMA No. 35822PZ32LCA02DTXSID9051903RefChem:76781DTXCID4030465
名称をさらに表示
acetic acid oct-1-en-3-yl ester4,10:5,9-Dicyclo-9,10-secoandrost-1-en-3-one, 17-(acetyloxy)-, (4α,5R,10α,17β)- (9CI)
219-474-7Amyl vinyl carbinol acetateOctenyl acetate3-AcetoxyocteneAmyl vinyl carbinyl acetateAmyl crotonyl acetatePentyl crotonyl acetate2242-10-6
データベース識別子
- CAS
2242-10-6- ChEBI
CHEBI:180237- UNII
- 2PZ32LCA02
- EC Number
- 219-474-7
- Nikkaji
- J60.742H
物性
構造計算による物性
- XLogP
- 3.1
- 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
- 7
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 141
実験および物理化学的性質
FragrancesFragrance Ingredient (1-Octen-3-yl acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Boiling Point189.00 to 190.00 °C. @ 760.00 mm Hg
物理化学的性質
- 沸点
- 80 · 80 ºC
- 比重(密度)
- 0.878 · 0.878
- 屈折率
- 1.425 · 1.425
- 闪点
- 74 · 74 ºC
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1657 reports by companies from 4 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: 1-Octen-3-ol, acetate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1-Octen-3-ol, acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
安全データ
- risk_code
- 22-43
- hazard_code
- Xn
- safety_code
- 36
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
IFRA Fragrance Standards
1-Octen-3-yl acetate
3-Acetoxyoctene; Amyl crotonyl acetate; Amyl vinyl carbinyl acetate; 1-Octen-3-ol, acetate; Octenyl acetate; β-Octenyl acetate; n-Pentyl vinyl carbinol acetate
IFRA_STD_069.pdf
49
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
Household ProductsInformation on 2 consumer products that contain 1-Octen-3-yl acetate in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information1-Octen-3-ol, 3-acetate: ACTIVE
Restriction Limits in the Finished Product (%)
0.27 [Products applied to the lips]
0.08 [Products applied to the axillae]
1.6 [Products applied to the face/body using fingertips]
1.5 [Products related to fine fragrances]
0.38 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.38 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
サプライヤー7 社
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…