기본 정보
- CAS
105-21-5- 표준 SMILES
CCCC1CCC(=O)O1- InChIKey
VLSVVMPLPMNWBH-UHFFFAOYSA-N- 분자식
- C7H12O2
- 평균 분자량
- 128.17 g/mol
- 단동위원소 질량
- 128.08372962
개요
Dihydro-5-propyl-2(3H)-furanone is a lactone.
이름 및 식별자
- 우선 이름
- gamma-Heptalactone
- IUPAC
- 5-propyloxolan-2-one
- 현지명
- 감마-헵타놀랙톤
- 영어명
- 4-Heptanolide
- 분자식
- C7H12O2
- 분자량
- 128.17
이름 및 동의어
gamma-Heptalactone105-21-54-Heptanolide5-propyloxolan-2-onegamma-Heptanolactone2(3H)-Furanone, dihydro-5-propyl-Heptan-4-olide1,4-HeptanolideHeptanolide-4,1gamma-Propiobutyrolactonegamma-Propyl-gamma-butyrolactoneFEMA No. 2539
이름 더 보기
감마-헵타놀랙톤γ-HeptalactoneFEMA 25395-Propyldihydro-2(3H)-furanoneγ-heptalactoneΓ-HEPTALACTONEγ-Heptanolactone
.gamma.-Heptalactone.gamma.-Heptanolactone4-Hydroxyheptanoic acid, gamma-lactonegamma-Heptalactone (natural)DTXSID50476114-Propyl-4-hydroxybutanoic acid lactoneUNII-U4XIN3U7DHU4XIN3U7DH
데이터베이스 식별자
- CAS
105-21-5、57129-71-2- PubChem CID
- 7742
- DTXSID
DTXSID5047611- ChEMBL
CHEMBL365316- ChEBI
CHEBI:89744- UNII
- U4XIN3U7DH
- EC Number
- 203-279-9
- Nikkaji
- J79.443K
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 109
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Lactones
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Lactones [FA0704]
FragrancesFragrance Ingredient (gamma-Heptalactone) -> IFRA transparency List
Food Additives
FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Food
Density0.997-1.004 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
miscible with alcohol and most fixed oils
(in ethanol)
Boiling Point61-62 °C (2 mmHg)
Refractive Index1.439-1.445
Physical Description
Colorless liquid; [Aldrich MSDS]
colourless, slightly oily liquid with a coconut, sweet, malty, caramel odour
물리화학적 성질
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 94.8% (1578 of 1664) of all reports.
Not Classified
Aggregated GHS information provided per 1664 reports by companies from 5 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 2(3H)-Furanone, dihydro-5-propyl-
Regulation (EC) No 1831/2003 (amended)
REACH registered substance: Heptan-4-olide (EC: 203-279-9)
2(3H)-Furanone, dihydro-5-propyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA moderate skin irritant; [RTECS] Safe when used as a flavoring agent in food; [JECFA] An irritant; [Aldrich MSDS] See Butyrolactone.
Hazard Classes and CategoriesNot Classified
독성 정보
Adverse EffectsNeurotoxin - Acute solvent syndrome
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- LU3697000
- 독성
- rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Chemical Toxicology. Vol. 20, Pg. 703, 1982.
- HS 번호
- 29322090
- risk_code
- 38-36/38
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
UsesUsed as flavoring agent or adjuvant; [FDA]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2(3H)-Furanone, dihydro-5-propyl-: ACTIVE
응용 분야
개요y-Heptalactone has a sweet, nut-like, caramel odor and a malty, caramel, sweet, herbaceous taste. This substance may be obtained in low yields by hydrogenation of ethyl P-furylacrylate;1 by lactoniation of heptenoic acid; also by condensation of methylacrylate butyl alcohol using a catalyst.
출처Reported found in green tea, asparagus, beer, strawberry, peach and beef
용도Food additive.
일반 설명γ-Heptalactone is a volatile flavor compound found in mangoes, strawberries, pineapples as well as in some dairy products. It is used as a flavoring agent in the food and cosmetic industry.
제조 방법
Obtained in low yields by hydrogenation of ethyl β-furylacrylate; by lactoniation of heptonic acid; also by condensation of methylacrylate butyl alcohol using a catalyst.
상·하류 제품 정보
상류 원료
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