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벤조산, 2-아미노-, 2-메틸프로필 에스터

Isobutyl anthranilate

HCID 24515
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
7779-77-3
표준 SMILES
CC(C)COC(=O)c1ccccc1N
InChIKey
ILCLJQFCMRCPNM-UHFFFAOYSA-N
분자식
C11H15NO2
평균 분자량
193.24 g/mol
단동위원소 질량
193.11027872

개요

Isobutyl anthranilate is a brown liquid. Insoluble in water. (NTP, 1992)

이름 및 식별자

우선 이름
Isobutyl anthranilate
IUPAC
2-methylpropyl 2-aminobenzoate
현지명
벤조산, 2-아미노-, 2-메틸프로필 에스터
영어명
Isobutyl anthranilate
분자식
C11H15NO2
분자량
193.24

이름 및 동의어

ISOBUTYL ANTHRANILATEIsobutyl 2-aminobenzoate2-Methylpropyl 2-aminobenzoateIsobutyl O-aminobenzoateAnthranilic acid, isobutyl esterFEMA No. 2182Benzoic acid, 2-amino-, 2-methylpropyl esterCCRIS 6251EINECS 231-938-0UNII-42VU4JGT9042VU4JGT90iso-butyl anthranilate
이름 더 보기
벤조산,2-아미노-,2-메틸프로필에스터벤조산,2-아미노-,2-메틸프로필에스터FEMA 2182Anthranilic acid isobutylisobutylb10361anthranilateIsobutyl anthranilate USP/EP/BPo-Aminobenzoic acid isobutyl ester2-amino-benzoicaci2-methylpropylesterBenzoicacid,2-amino-,2-methylpropylester
AI3-03443DTXSID8025460ISOBUTYL ANTHRANILATE [FHFI]RefChem:149076DTXCID1054602-AMINOBENZOIC ACID, 2-METHYLPROPYL ESTER231-938-0ILCLJQFCMRCPNM-UHFFFAOYSA-N

데이터베이스 식별자

CAS
7779-77-3

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
4
무거운 원자 수
14
형식 전하
0
복잡도
192

실험 및 물리화학적 성질

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.057-1.063
Flavoring AgentsEU Flavoring substances
Solubility · 3건

Insoluble (NTP, 1992)

Insoluble in water; Soluble in oils

Soluble (in ethanol)

Boiling Point · 3건

313 to 315 °F at 13.5 mmHg (NTP, 1992)

118.00 to 122.00 °C. @ 3.00 mm Hg

169-170 °C (13.5 mm Hg)

Refractive Index1.534-1.540
Physical Description · 2건

Isobutyl anthranilate is a brown liquid. Insoluble in water. (NTP, 1992)

Colourless to pale yellow liquid; Faint orange blossom-like aroma

물리화학적 성질

끓는 점
118 °C · 118 °C
밀도
1 · 1,06 g/cm3
FEMA
2182 · 2182 | ISOBUTYL ANTHRANILATE

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.

Not Classified

Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Benzoic acid, 2-amino-, 2-methylpropyl ester

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Benzoic acid, 2-amino-, 2-methylpropyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzoic acid, 2-amino-, 2-methylpropyl ester: Human health tier I assessment
Fire HazardsFlash point data for this compound are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity ProfileISOBUTYL ANTHRANILATE hydrolyzes under acidic or basic conditions. (NTP, 1992)
Air and Water ReactionsThis compound is sensitive to air and light. Insoluble in water.
Hazard Classes and CategoriesNot Classified

안전 및 보호

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

Use Classification · 3건

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-, 2-methylpropyl ester: INACTIVE

응용 분야

개요Isobutyl anthranilate has a faint, orange flowers odor. Prepared by heating the anhydride of N-carboxyl anthranilic acid with sodium isobutoxide and subsequently hydrolyzing the reaction product.

일반 설명Brown liquid. Insoluble in water.

상·하류 제품 정보

상류 원료

아이사토산 무수물이소부탄올안트라닐산

공급사34 곳

常州帝通化工有限公司+86-0519-88298848 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

관련 반응

1건
반응 기록 만들기
HRID 2163563 반응식
HRID 2163563생성물로uspto-grants-1979_01

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
PubChem CID
24515
DTXSID
DTXSID8025460
ChEMBL
CHEMBL2263136
ChEBI
CHEBI:179249
UNII
42VU4JGT90
EC Number
231-938-0
Nikkaji
J47.853I
산도 계수 (pKa)
2.1 · 2.10±0.10(Predicted)
냄새
100 %에서 · 100.00%에서. 포도 달콤한 과일향이 나는 꽃무늬 베리
냄새 유형
과일 같은
JECFA Number
1537 · 1537
안정성
안정적이지만 공기와 빛에 민감합니다. 타기 쉬운. 산성 또는 염기성 조건에서 가수분해됩니다.
LogP
3.45 · 3.45
NIST
2 · Benzoic acid, 2-amino-, 2-methylpropyl ester(7779-77-3)
EPA
Isobutyl anthranilate (7779-77-3)
Fire Fighting · 1건

This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)

First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

안전 데이터

tsca
TSCA listed
hazard_code
Xi
위험 등급
IRRITANT
기존화학 물질
KE-01205
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