기본 정보
- CAS
40923-64-6- 표준 SMILES
CCCCCCCC1CC(C)OC1=O- InChIKey
ZFKUTGNRVJOCIO-UHFFFAOYSA-N- 분자식
- C12H22O2
- 평균 분자량
- 198.3 g/mol
- 단동위원소 질량
- 198.16197994
개요
3-Heptyldihydro-5-methyl-2(3H)-furanone is a gamma-lactone.
이름 및 식별자
- 우선 이름
- 3-Heptyldihydro-5-methyl-2(3H)-furanone
- IUPAC
- 3-heptyl-5-methyloxolan-2-one
- 영어명
- 3-HEPTYLDIHYDRO-5-METHYL-2(3H)-FURANONE
- 분자식
- C12H22O2
- 분자량
- 198.3
이름 및 동의어
3-Heptyldihydro-5-methyl-2(3H)-furanone3-heptyl-5-methyloxolan-2-oneFEMA No. 33503-Heptyldihydro-5-methylfuran-2(3H)-one2(3H)-Furanone, 3-heptyldihydro-5-methyl-alpha-Heptyl-gamma-valerolactoneUNII-B5Z5UJR56ZB5Z5UJR56ZEINECS 255-141-2DTXSID80866025.ALPHA.-HEPTYL-.GAMMA.-VALEROLACTONE3-HEPTYLDIHYDRO-5-METHYL-2(3H)-FURANONE [FHFI]
이름 더 보기
3-Heptyl-5-methyl-4,5-dihydro-2(3H)-furanone3-HEPTYLDIHYDRO-5-METHYL-2(3H)-FURANONE USP/EP/BP
RefChem:94019DTXCID60814367(+-)-3-HEPTYLDIHYDRO-5-METHYL-2(3H)-FURANONE40923-64-6SCHEMBL3504590FEMA 3350CHEBI:171832AKOS006279437
데이터베이스 식별자
- CAS
40923-64-6- PubChem CID
- 61990
- DTXSID
DTXSID80866025- ChEBI
CHEBI:171832- UNII
- B5Z5UJR56Z
- EC Number
- 255-141-2
- Nikkaji
- J294.790K
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 177
실험 및 물리화학적 성질
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.935-0.942
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Point
170.00 °C. @ 17.00 mm Hg
170 °C (17 mm Hg)
Refractive Index1.443-1.450
Physical Descriptionclear, colourless liquid
물리화학적 성질
- 끓는 점
- 290 ℃ · 290℃
- 밀도
- 0.916 · 0.916
- FEMA
- 3350 · 3350 | 3-HEPTYLDIHYDRO-5-METHYL-2(3H)-FURANONE
- 인화점
- 117 ℃ · 117℃
- 냄새
- 100 %에서 · 100.00%에서. 크리미한 락토닉 그린 왁시 구스베리 자두 키위 복숭아 감귤류 과일
- 냄새 유형
- 크림 같은
- JECFA Number
- 244 · 244
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 6.4% (88 of 1374) of reports.
Warning
H302 (93.6%): 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 1374 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 2(3H)-Furanone, 3-heptyldihydro-5-methyl-
2(3H)-Furanone, 3-heptyldihydro-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (93.6%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2(3H)-Furanone, 3-heptyldihydro-5-methyl-: ACTIVE
응용 분야
개요Heptyl formate has a fruity-floral odor with an orris-rose undertone and a sweet taste reminiscent of plum. May be synthesized from n-heptyl bromide and formamide at the boil.
용도3-Heptyldihydro-5-methyl-2(3H)-furanone is used in the methods and compositions for modifying sensorial perception associated with transient sensory receptors TRPA1, TRPV1, and TRPA1V1.
공급사4 곳
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