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에틸하이드록시피론

Ethyl Maltol

HCID 21059
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
4940-11-8
표준 SMILES
CCc1occc(=O)c1O
InChIKey
YIKYNHJUKRTCJL-UHFFFAOYSA-N
분자식
C7H8O3
평균 분자량
140.14 g/mol
단동위원소 질량
140.04734411

개요

Ethyl maltol is a pyranone.

이름 및 식별자

우선 이름
Ethyl Maltol
IUPAC
2-ethyl-3-hydroxypyran-4-one
현지명
에틸하이드록시피론
영어명
Ethyl maltol
분자식
C7H8O3
분자량
140.14

이름 및 동의어

Ethyl maltol2-Ethyl-3-hydroxy-4H-pyran-4-one4940-11-82-Ethyl-3-hydroxy-4-pyroneEthylmaltolVeltol plus3-Hydroxy-2-ethyl-4-pyrone2-ethyl-3-hydroxypyran-4-one2-Ethylpyromeconic acid4H-PYRAN-4-ONE, 2-ETHYL-3-HYDROXY-Ethyl HydroxypyroneFEMA No. 3487
이름 더 보기
에틸하이드록시피론FEMA 34876-ETHYL-3-HYDROXY-2-METHYL-4H-PYRAN-4-ONE2-ethyl-3-hydroxy-4-pyranoneveltolplusethyl mantol
2-Ethyl pyromeconic acidDTXSID5041516L6Q8K29L05NSC638851NSC-638851DTXCID3021516RefChem:138985225-582-5

데이터베이스 식별자

CAS
4940-11-8
PubChem CID
21059
DTXSID
DTXSID5041516
ChEMBL
CHEMBL121557
ChEBI
CHEBI:169105
UNII
L6Q8K29L05
EC Number
225-582-5
Nikkaji
J35.389B

물성

구조 계산 물성

XLogP
0.8
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
10
형식 전하
0
복잡도
213

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (Ethyl maltol) -> IFRA transparency List
LogP · 2건

0.630

0.6

Food AdditivesCOLOR OR COLORING ADJUNCT, FLAVORING AGENT OR ADJUVANT, PROCESSING AID -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility · 2건

Sparingly soluble in water, soluble in propylene glycol

Soluble (in ethanol)

Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Boiling Point289.00 to 290.00 °C. @ 760.00 mm Hg
Melting Point90 - 91 °C
Physical Description · 2건

Solid

White crystalline powder; Sweet fruit-like aroma

물리화학적 성질

녹는점

안전 및 규제

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

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 0.3% (7 of 2365) of reports.

Warning

H302 (99.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2365 reports by companies from 7 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: 4H-Pyran-4-one, 2-ethyl-3-hydroxy-

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

REACH registered substance: 2-ethyl-3-hydroxy-4-pyrone (EC: 225-582-5)

4H-Pyran-4-one, 2-ethyl-3-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (99.7%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
UQ0840000
독성
LD50 orally in male mice, male rats, female rats, chicks (mg/kg): 780, 1150, 1200, 1270 (Gralla)
HS 번호
29329990
risk_code
22
hazard_code
Xn
safety_code
36
기존화학 물질
KE-13879
Hazard Classifications
Acute Tox. 4 Oral
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Household ProductsInformation on 92 consumer products that contain Ethyl Hydroxypyrone in the following categories is provided:
Use Classification · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENTFood Additives -> FLAVOUR_ENHANCER; STABILIZER -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information4H-Pyran-4-one, 2-ethyl-3-hydroxy-: ACTIVE
응용 분야 · 3건

출처Has apparently not been reported to occur in nature.

용도Ethyl Maltol is a flavoring agent that is a white, crystalline powder. it has a unique odor and a sweet taste that resembles fruit. the melt- ing point is 90°c. it is sparingly soluble in water and propylene gly- col and soluble in alcohol and chloroform. it is obtained by chemical synthesis.

일반 설명Ethyl maltol is a synthetic homologue of maltol, often found as flavor enhancers and it contributes to the fragrance of commercials products such as cereals, breads, malt beverages, coffee, soybeans and chocolate milk.

제조 방법 · 2건

생산 방법Unlike maltol, ethyl maltol does not occur naturally. It may be prepared by treating a-ethylfurfuryl alcohol with a halogen to produce 4-halo-6-hydroxy-2-ethyl-2H-pyran-3(6H)-one, which is converted to ethyl maltol by hydrolysis.

Several syntheses have been developed for its preparation. In a one-pot process, for example, -ethylfurfuryl alcohol is treated with halogen to give 4-halo- 6-hydroxy-2-ethyl-2H-pyran-3(6H)-one, which need not be isolated and can be converted to ethylmaltol by aqueous hydrolysis.

관련 반응

26건
반응 기록 만들기
HRID 65799 반응식
HRID 65799반응물로uspto-grants-1978_12
HRID 194087 반응식
HRID 194087반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 261003 반응식
HRID 261003반응물로uspto-grants-1979_08
HRID 374446 반응식
HRID 374446반응물로uspto-grants-1996_01
HRID 481463 반응식
HRID 481463반응물로uspto-grants-1998_08
HRID 719429 반응식
HRID 719429반응물로uspto-grants-2006_11
HRID 915146 반응식
HRID 915146반응물로uspto-grants-2007_09
HRID 916120 반응식
HRID 916120반응물로uspto-grants-2007_09
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
85 · 85-95 °C (lit.)
끓는 점
196.62 °C · 196.62°C (rough estimate)
밀도
1.1624 · 1.1624 (rough estimate)
증기압
0.2 Pa · 0.2Pa at 24℃
굴절률
1.485 · 1.4850 (estimate)
FEMA
3487 · 3487 | ETHYL MALTOL
저장 조건
2 · 2-8°C
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
8.38 · 8.38±0.10(Predicted)
물리적 상태
Solid
색상
흰색에서 연한 노란색
냄새
5 % · 벤질알코올 중 5.00%. 달콤한 카라멜 잼 딸기 솜사탕
냄새 유형
캐러멜 같은
생물학적 소스
synthetic
수용성
9.345 g/L · 9.345g/L at 24℃
Merck
14 · 14,3824
JECFA Number
1481 · 1481
주요 응용
청소용품화장품향료 및 향음식 및 음료개인 위생 관리
화장품 원료 기능
향수향기
InChI
1S/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3
InChIKey
YIKYNHJUKRTCJL-UHFFFAOYSA-N
SMILES
CCC1=C(O)C(=O)C=CO1
LogP
2.9 at · 2.9 at 25℃
NIST
4 H-pyran-4-one, · 4H-pyran-4-one, 2-ethyl-3-hydroxy-(4940-11-8)
EPA
4 H-Pyran-4-one, · 4H-Pyran-4-one, 2-ethyl-3-hydroxy- (4940-11-8)

화학적 성질

Ethyl maltol has a very sweet, fruit-like odor of immense tenacity and sweet, fruity taste with initial bitter-tart flavor; rapid loss of flavor per se. It is four to six times more potent than maltol.

상·하류 제품 정보

상류 원료

Ethyl phenol염화벤질Uraldehyde푸란-2-카르복실산Grignard reagentSugar alcohol이산화 망간염소(기체)Pyromeconic acid염화에틸디에틸에테르염화 암모늄캬라멜 색코직산소다의 염산퍼퓨릴 알코올디벤질에테르에틸브로마이드푸르푸랄