기본 정보
- CAS
143-13-5- 표준 SMILES
CCCCCCCCCOC(C)=O- InChIKey
GJQIMXVRFNLMTB-UHFFFAOYSA-N- 분자식
- C11H22O2
- 평균 분자량
- 186.29 g/mol
- 단동위원소 질량
- 186.16197994
개요
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)
이름 및 식별자
- 우선 이름
- Nonyl Acetate
- IUPAC
- nonyl acetate
- 현지명
- 노닐 아세테이트
- 영어명
- Nonyl acetate
- 분자식
- C11H22O2
- 분자량
- 186.29
이름 및 동의어
NONYL ACETATEAcetic acid, nonyl esterAcetic Acid Nonyl EsterNONYLACETATEDTXSID4047123EINECS 205-585-8UNII-M2SE618B1LNSC 82356M2SE618B1LAI3-11583NSC-82356NONYL ACETATE [FCC]
이름 더 보기
노닐아세테이트노닐아세테이트NonylacetatACETATE C-91-nonylacetatenonanolacetateNonylethanoate1-acetoxynonaneNonanol acetateNONANYL ACETATE
NONYL ACETATE [FHFI]DTXCID2027123CHEBI:87511FEMA 2788Nonyl acetic acidAcetate nonyl esterRefChem:166494NONYL ACETATE [INCI]
데이터베이스 식별자
- CAS
143-13-5- PubChem CID
- 8918
- DTXSID
DTXSID4047123- ChEMBL
CHEMBL2228457- ChEBI
CHEBI:87511- UNII
- M2SE618B1L
- EC Number
- 205-585-8
- Nikkaji
- J10.621F
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 121
실험 및 물리화학적 성질
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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
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
응용 분야
개요Nonyl 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.
출처Reported found in apple, citrus peel oils and juices, grapes, melon, Gruyere cheese, milk, beer and pepino fruit (Solanum muricatum).
용도Nonyl 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.
일반 설명Nonyl 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)
제조 방법
By direct esterification of n-nonyl alcohol with acetic acid.
상·하류 제품 정보
상류 원료
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