基本情報
- CAS
143-13-5- 標準SMILES
CCCCCCCCCOC(C)=O- InChIKey
GJQIMXVRFNLMTB-UHFFFAOYSA-N- 分子式
- C11H22O2
- 平均分子量
- 186.29 g/mol
- 単同位体質量
- 186.16197994
概要
Nonyl acetate is a colorless liquid with a pungent odor of mushrooms. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)
名称と識別子
- 優先名称
- Nonyl Acetate
- IUPAC
- nonyl acetate
- 現地名
- 酢酸ノニル
- 英語名
- Nonyl acetate
- 分子式
- C11H22O2
- 分子量
- 186.29
名称と別名
NONYL ACETATEAcetic acid, nonyl esterAcetic Acid Nonyl EsterNONYLACETATEDTXSID4047123EINECS 205-585-8UNII-M2SE618B1LNSC 82356M2SE618B1LAI3-11583NSC-82356NONYL ACETATE [FCC]
名称をさらに表示
酢酸ノニルアセタートC9ノニル=アセタート酢酸n-ノニルノニルアセテ-トNonylacetatACETATE C-91-nonylacetatenonanolacetateNonylethanoate1-acetoxynonaneNonanol acetateNONANYL ACETATE
NONYL ACETATE [FHFI]DTXCID2027123CHEBI:87511FEMA 2788Nonyl acetic acidAcetate nonyl esterRefChem:166494NONYL ACETATE [INCI]
データベース識別子
- CAS
143-13-5- PubChem CID
- 8918
- DTXSID
DTXSID4047123- ChEMBL
CHEMBL2228457- ChEBI
CHEBI:87511- UNII
- M2SE618B1L
- EC Number
物性
構造計算による物性
- XLogP
- 4
- 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
- 9
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 121
実験および物理化学的性質
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Cosmetics
Cosmetic ingredients (Nonyl Acetate) -> CIR (Cosmetic Ingredient Review)
Emollient
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Nonyl acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
0.8785 at 59 °F (USCG, 1999) - Less dense than water; will float
0.864-0.868
Flavoring AgentsEU Flavoring substances
Solubility
soluble in alcohol, ether; insoluble in water
1 ml in 6 ml 70% alcohol (in ethanol)
Boiling Point
406.4 to 413.6 °F at 760 mmHg (USCG, 1999)
212.00 °C. @ 760.00 mm Hg
208-212 °C
Melting Point-26 °C
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 16.9% (263 of 1555) of reports.
H411 (83.1%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1555 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Acetic acid, nonyl ester
REACH registered substance: Nonyl acetate (EC: 205-585-8)
Acetic acid, nonyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Fire HazardsSpecial Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire. (USCG, 1999)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
NONYL ACETATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire (USCG, 1999).
Air and Water Reactions
化学と産業
薬理情報
Cellular LocationsExtracellular
用途と製造
UsesCIR ingredient: Nonyl Acetate
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Cosmetics -> Emollient
General Manufacturing InformationAcetic acid, nonyl ester: ACTIVE
応用分野
用途溶剤ノニル酢酸エステルは塗料インク接着剤などの製造において溶剤として広く使用されますその低揮発性は作業環境の改善にも寄与しています 可塑剤柔軟性が必要なプラスチック材料に加えられ材料の柔軟性を向上させるために使用されます特にPVCポリ塩化ビニル製品の製造において重要な役割を果たします 香料独特の芳香を持つため香水や化粧品洗剤などの香料としても利用されますこの用途では消費者に快適な香りを提供することが目的です
用途溶剤ノニル酢酸エステルは塗料インク接着剤などの製造において溶剤として広く使用されますその低揮発性は作業環境の改善にも寄与しています可塑剤柔軟性が必要なプラスチック材料に加えられ材料の柔軟性を向上させるために使用されます特にPVCポリ塩化ビニル製品の製造において重要な役割を果たします香料独特の芳香を持つため香水や化粧品洗剤などの香料としても利用されますこの用途では消費者に快適な香りを提供することが目的です
説明Nonyl acetate has a floral, fruity (mushroom-gardenia) odor and a corresponding flavor on dilution. It has a bitter taste when concentrated. It is prepared by direct esterification of n-nonyl alcohol with acetic acid.
天然物の起源Reported found in apple, citrus peel oils and juices, grapes, melon, Gruyere cheese, milk, beer and pepino fruit (Solanum muricatum).
使用Nonyl acetate finds some use in flavor compositions for imitation Apricot, Peach, Lemon and other Citrus types, fruit complexes, etc. Its sweet-fruity taste is accompanied by a "peel"-like freshness, and the material is quite powerful. Concentrations vary from 1 to 3 ppm in the finished product.
一般的な説明Nonyl acetate is a colorless liquid with a pungent odor of mushrooms. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)
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