基本情報
- CAS
2442-10-6- 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
- 単同位体質量
- 170.13067981
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
- 現地名
- 3-アセトキシ-1-オクテン
- 英語名
- 1-Octen-3-yl acetate
- 分子式
- C10H18O2
- 分子量
- 170.25
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
アミルビニルカルビノールアセタート酢酸1-オクテン-3-イル酢酸1-エテニルヘキシル酢酸1-ビニルヘキシルアミルビニルカルビニルアセタート3-アセトキシ-1-オクテン1-オクテン-3-オールアセタート1-オクテン-3-イル アセテ-トFEMA 35823-Acetoxy octeneOcten-3-yl acetate1-OCTEN-2-YLACETATE1-pentylallylacetate1-Octen-3-ol,acetate1-OCLen-3-yl Acetate
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
2442-10-6- PubChem CID
- 17121
- DTXSID
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
- 融点
- -89.9 °C · -89.9°C (estimate)
- 沸点
- 80 °C15 · 80 °C15 mm Hg(lit.)
- 比重(密度)
- 0.878 g/mL · 0.878 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.425(lit.)
- FEMA
- 3582 · 3582 | 1-OCTEN-3-YL ACETATE
- 闪点
- 165 °F · 165 °F
- 貯蔵温度
- 2 · 2-8°C
- 外見
- clear liquid
- 色
- Colorless to Almost colorless
- 臭い (Odor)
- 100 %で。フレッシュグリーン · 100.00%で。フレッシュグリーン ハーブ ラベンダー フルーティー オイリー
- においのタイプ
- ハーブ
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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- RH3320000
- 毒性
- LD50 orl-rat: 850 mg/kg FCTOD7 20,641,82
- hs_code
- 2915.39.9000
- 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)]
応用分野
説明l-Octen-3-yl acetate has a characteristic odor reminiscent of lavender and lavandin. May be prepared by acetylation of amyl vinyl carbinol.
天然物の起源Reported found in melon, cornmint oil, spearmint oil, Scotch spearmint oil and other Mentha oils, certain types of Thymus, other varieties of mushrooms and anise hyssop.
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…