基本情報
- CAS
134-28-1- 標準SMILES
CC(=O)OC(C)(C)[C@@H]1CC[C@H](C)C2=C(C1)[C@@H](C)CC2- InChIKey
DRFSOBZVMGLICQ-SGMGOOAPSA-N- 分子式
- C17H28O2
- 平均分子量
- 264.4 g/mol
- 単同位体質量
- 264.20893013
概要
Guaiol acetate is a sesquiterpenoid.
名称と識別子
- 優先名称
- Guaiyl acetate
- IUPAC
- 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl acetate
- 現地名
- グアイオールアセタート
- 英語名
- GUAI-1(5)-en-11-ol:acetate
- 分子式
- C17H28O2
- 分子量
- 264.4
名称と別名
Guaiol acetateGuaiac acetateGuaiyl acetateGuaiol, acetateGuaiac wood acetateGuai-1(5)-en-11-ol, acetate134-28-1Octahydroazulene acetateGuai-1-en-11-ol acetate4J2P61VYV9EINECS 205-135-0NSC 46160
名称をさらに表示
グアイオールアセタート(3S)-1,2,3,4,5,6,7,8-オクタヒドロ-α,α,3α,8α-テトラメチル-5α-アズレンメタノールアセタート2-[(3S,5R,8S)-3,8-ジメチル-1,2,3,4,5,6,7,8-オクタヒドロアズレン-5-イル]プロパン-2-イル アセタート(3S)-1,2,3,4,5,6,7,8-オクタヒドロ-α,α,3α,8α-テトラメチルアズレン-5α-メタノールアセタートGUAIACWOOD ACETATENsc46160GUAJYLACETATGuaijol, acetateGuaicwood acetateAluminum oxide aceateGUAIACWOOD ACETATE EXTRA
NSC-46160GUAIYL ACETATE [FHFI]2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl acetateDTXSID70516841,4-Dimethyl-7-(alpha-hydroxyisopropyl)-delta9,10-octahydroazule5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, acetate, (3S,5R,8S)-5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-alpha,alpha-3,8-tetramethyl-, acetate, (3S-(3alpha,5alpha,8alpha))-5-Azulenemethanol, 1,2,3,4,5alpha,6,7,8-octahydro-alpha,alpha,3beta,8beta-tetramethyl-, acetate
物性
構造計算による物性
- XLogP
- 3.6
- 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
- 3
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 392
実験および物理化学的性質
FragrancesFragrance Ingredient (Guaiyl acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
物理化学的性質
- 沸点
- 242 °C · 242 °C(lit.)
- 比重(密度)
- 0.977 g/mL · 0.977 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.4905(lit.)
- 闪点
- 230 °F · >230 °F
- 溶解性
- Insoluble in water, soluble in alcohol and oils
- 外見
- viscous liquid
- 比重
- 0.99 · 0.99
- 色
- Pale ycllowiah or almost colorless
- 臭い (Odor)
- 100 %で。ティーローズ · 100.00%で。ティーローズ ウッディ スパイシー グリーン ファッティ
- においのタイプ
- バルサミコ
- 化粧品成分の機能
- 香料
- LogP
- 5.774 · 5.774 (est)
- EPAの化学物質情報
- 5 · 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, acetate, (3S,5R,8S)- (134-28-1)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 1594 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: 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, acetate, [3S-(3.alpha.,5.alpha.,8.alpha.)]-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, acetate, (3S,5R,8S)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全データ
- wgk
- 2
- tsca
- TSCA listed
- 毒性
- Both the acute oral UD 50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1973).
化学と産業
用途と製造
Use ClassificationFragrance Ingredients
General Manufacturing Information5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, 5-acetate, (3S,5R,8S)-: ACTIVE
応用分野
説明Guaiol acetate has a faint but lasting rose odor and a sweet taste suggestive of currant. It is not very stable. Guaiol acetate may be synthesized by acetylation of guaiol, which is one of the constituents of the essential oil from guaiac wood.
天然物の起源Has apparently not been reported to occur in nature.
使用Guaiol acetate is used in perfume compositions of the more delicate types, such as Crepe de Chine or certain variations of Rose, but it finds application in many woody fragrances, Chypres and Men’s fragrances, etc. Guaiyl acetate is used in Tobacco and fruit flavors in minute traces, usually only 0.5 to 2 ppm in the finished product. It gives a useful and interesting background in Blackcurrant, Peach, Apricot, Strawberry and even Pineapple, etc
調製方法
製造方法By acetylation of guaiol, which is one of the constituents of the essential oil from guaiac wood.
サプライヤー11 社
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
湖北世腾化工科技有限公司18971850150 19086915685 · [email protected]
Shaanxi Dideu New Materials Co. Ltd
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…