기본 정보
- CAS
7756-96-9- 표준 SMILES
CCCCOC(=O)c1ccccc1N- InChIKey
HUIYGGQINIVDNW-UHFFFAOYSA-N- 분자식
- C11H15NO2
- 평균 분자량
- 193.24 g/mol
- 단동위원소 질량
- 193.11027872
개요
Butyl anthranilate is a dark brown liquid. Insoluble in water. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Butyl anthranilate
- IUPAC
- butyl 2-aminobenzoate
- 현지명
- 안스라니릭산노르말부틸에스테르
- 영어명
- Butyl anthranilate
- 분자식
- C11H15NO2
- 분자량
- 193.24
이름 및 동의어
BUTYL ANTHRANILATEButyl 2-aminobenzoaten-Butyl anthranilateButyl O-aminobenzoateBenzoic acid, 2-amino-, butyl estern-Butyl o-aminobenzoate2-Aminobenzoic acid butyl esterAnthranilic acid, butyl esterFEMA No. 2181CCRIS 4759DTXSID50246832-Aminobenzoic acid, butyl ester
이름 더 보기
안스라니릭산노르말부틸에스테르n-뷰틸 안트라닐산염FEMA 2181n-ButylesterButylanthranilatN-BUTYL 2-AMINOBENZOATEBUTYL ANTHRANILATE 99+%
EINECS 231-816-7UNII-73DAT3M81ONSC 40650973DAT3M81OAI3-03442NSC-406509DTXCID204683CHEBI:86192
데이터베이스 식별자
- CAS
7756-96-9- PubChem CID
- 24433
- DTXSID
DTXSID5024683- ChEMBL
CHEMBL1558498- ChEBI
CHEBI:86192- UNII
- 73DAT3M81O
- EC Number
- 231-816-7
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 52.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 182
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Butyl anthranilate) -> IFRA transparency List
LogP3.630
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.067-1.073
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble (NTP, 1992)
Insoluble in water; Soluble in oils
Soluble (in ethanol)
Boiling Point
360 °F at 760 mmHg (NTP, 1992)
303.00 °C. @ 760.00 mm Hg
303 °C
Melting Pointless than 32 °F (NTP, 1992)
Refractive Index1.539-1.545
Physical Description
Butyl anthranilate is a dark brown liquid. Insoluble in water. (NTP, 1992)
A colourless or very pale straw-Coloured liquid; Mild sweet, fruity, floral aroma
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 66.9% (93 of 139) of all reports.
Warning
H302 (28.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 139 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzoic acid, 2-amino-, butyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: Butyl anthranilate (EC: 231-816-7)
Benzoic acid, 2-amino-, butyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzoic acid, 2-amino-, butyl ester: Human health tier I assessment
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
BUTYL ANTHRANILATE is an aminophenyl ester derivative. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. 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.
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzoic acid, 2-amino-, butyl ester: ACTIVE
응용 분야
출처Reported present in peppermint oil from Brazil, Achillea ageratum, tea and in apple aroma.
일반 설명Dark brown liquid. Insoluble in water.
제조 방법
Prepared by transesterification of methyl anthranilate (methyl 2-aminobenzoate) with n-butyl alcohol in the presence of HCl.
상·하류 제품 정보
상류 원료
공급사58 곳
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