基本情報
- CAS
2050-08-0- 標準SMILES
CCCCCOC(=O)c1ccccc1O- InChIKey
RANVDUNFZBMTBK-UHFFFAOYSA-N- 分子式
- C12H16O3
- 平均分子量
- 208.25 g/mol
- 単同位体質量
- 208.10994437
概要
Amyl salicylate is a benzoate ester.
名称と識別子
- 優先名称
- Amyl Salicylate
- IUPAC
- pentyl 2-hydroxybenzoate
- 現地名
- 2-ヒドロキシ安息香酸ペンチル
- 英語名
- Amyl salicylate
- 分子式
- C12H16O3
- 分子量
- 208.25
名称と別名
Amyl salicylate2050-08-0Pentyl 2-hydroxybenzoatePentyl salicylateBenzoic acid, 2-hydroxy-, pentyl esterSALICYLIC ACID, PENTYL ESTER2-Hydroxybenzoic acid, pentyl esterVZO9C30208NSC-44877NSC-46125NSC-403668DTXSID9029227
名称をさらに表示
2-ヒドロキシ安息香酸ペンチルアミレノールサリチル酸アミルサリチル酸ペンチルアミルサリチレ-トペンチル＝2-ヒドロキシベンゾアートAmylenolPentylsalicylatOXY AMYL SALICYLATESalicylic acid amylPENTYL-2-HYDROXYBENZOATEPentyl-o-hydroxybenzoate
RefChem:112400DTXCID709227218-080-2N-Amyl salicylateSalicylic acid, amyl esterAmylester kyseliny salicyloveAmyl Salicylate (Mixed Isomers 35/65)salicylic acid pentyl ester
データベース識別子
- CAS
2050-08-0- PubChem CID
- 16299
- DTXSID
DTXSID9029227- ChEBI
CHEBI:88386
物性
構造計算による物性
- XLogP
- 5.2
- 極性表面積
- 46.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 6
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 191
実験および物理化学的性質
Cosmetics
Cosmetics ingredient -> Flavor; Fragrance; Moisturizing/Humectant; Other (Specify); Solvent
Cosmetic ingredients (Amyl Salicylate) -> CIR (Cosmetic Ingredient Review)
Skin conditioning
SpringerMaterials PropertiesBoiling point
Fragrances
Fragrance Ingredient (Amyl salicylate) -> IFRA transparency List
Fragrance
Food AdditivesUse unspecified -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility5 mg/L @ 20 °C (exp)
Boiling Point268.00 °C. @ 760.00 mm Hg
Physical DescriptionLiquid; CBI
物理化学的性質
- 融点
- -12 ° · -12°
- 沸点
- 270 °C · 270°C
- 比重(密度)
- 1.056 · 1.056
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 0.3% (6 of 1869) of reports.
Warning
H302 (17.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1869 reports by companies from 23 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: Benzoic acid, 2-hydroxy-, pentyl ester
Hazard Traits - Fragrance Allergen
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzoic acid, 2-hydroxy-, pentyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 2-hydroxy-, pentyl ester 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: Pentyl salicylate (EC: 218-080-2)
Amyl salicylate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (17.6%)
毒性情報
Toxicity Summary
The Panel concluded that the following ingredients are safe in cosmetics in the present practices of use and concentration described in the safety assessment, when formulated to be non-irritating and non-sensitizing, which may be based on a quantitative risk assessment (QRA)..Amyl Salicylate...
Safe for use in cosmetics, with qualifications
安全データ
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
UsesCIR ingredient: Amyl Salicylate
U.S. Production2023: 2,500,000 - <4,000,000 lb
Consumer UsesFragrance
Industry UsesOther
Household Products
Cosmetics product ingredient: Pentyl-2-hydroxy-benzoate (Amyl Salicylate)
Information on 99 consumer products that contain Amyl Salicylate in the following categories is provided:
Use Classification
Fragrance Ingredients
Cosmetics -> Skin conditioning
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Benzoic acid, 2-hydroxy-, pentyl ester: ACTIVE
応用分野
天然物の起源Apparently has not been reported to occur in nature.
調製方法
製造方法By esterification of salicylic acid with the isomeric amyl alcohols obtained from fusel oil and other sources.
上流・下流製品情報
上流原料
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…