테트라하이드로-6-(3-펜테닐)-2H-피란-2-온 (CAS NO. 32764-98-0)
8-Decen-5-olide
기본 정보
- CAS
32764-98-0- 표준 SMILES
C/C=C/CCC1CCCC(=O)O1- InChIKey
NBCMACYORPIYNY-NSCUHMNNSA-N- 분자식
- C10H16O2
- 평균 분자량
- 168.23 g/mol
- 단동위원소 질량
- 168.11502975
개요
Jasmolactone is a member of the class of 2-pyranones that is tetrahydro-2H-pyran-2-one substituted by a pent-2-en-5-yl group at position 6. It is used as a flavouring agent and as an ingredient in perfumes. It has a role as a flavouring agent, a fragrance and a plant metabolite. It is a member of 2-pyranones and an olefinic compound.
이름 및 식별자
- 우선 이름
- 8-Decen-5-olide
- IUPAC
- 6-[(E)-pent-3-enyl]oxan-2-one
- 현지명
- 테트라하이드로-6-(3-펜테닐)-2H-피란-2-온 (CAS NO. 32764-98-0)
- 영어명
- 6-(3-Pentenyl)-tetrahydro-2H-pyran-2-one
- 분자식
- C10H16O2
- 분자량
- 168.23
이름 및 동의어
8-Decen-5-olideTetrahydro-6-(3-pentenyl)-2H-pyran-2-one32764-98-0EINECS 251-201-7dec-8-eno-1,5-lactone5P495PT4PN2H-Pyran-2-one, tetrahydro-6-(3-penten-1-yl)-EC 251-201-72H-Pyran-2-one, tetrahydro-6-(3-pentenyl)-FEMA NO. 44415-HYDROXY-8-DECENOIC ACID DELTA-LACTONE8-DECENOIC ACID, 5-HYDROXY-, DELTA-LACTONE
이름 더 보기
테트라하이드로-6-(3-펜테닐)-2H-피란-2-온(CASNO.32764-98-0)6-(3-펜테닐)-테트라히드로-2H-피란-2-온JASMOLACTONJasminolactonepetal pyranoneJasmolactone >=95%6-(Pent-3-en-1-yl)oxan-2-one6-[(E)-pent-3-enyl]oxan-2-oneTetrahydro-6-(3-pentenyl)-2H-pyran-2-on
RefChem:5479995-HYDROXY-8-DECENOIC ACID .DELTA.-LACTONE8-DECENOIC ACID, 5-HYDROXY-, .DELTA.-LACTONE75253-68-88-Decen-5-olide, (E)-JASMOLACTONEUNII-5P495PT4PNFEMA No. 4441, E-
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 173
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Tetrahydro-6-(3-pentenyl)-2H-pyran-2-one) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.975-1.007 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
Practically insoluble or insoluble in water
Soluble (in ethanol)
Boiling Point300 °C
Refractive Index1.470-1.480
Physical Description
Liquid
Clear colourless to pale yellow liquid; Oily, fruity, floral petal, jasmin, peach, apricot aroma
물리화학적 성질
- 끓는 점
- 149 · 149-151 °C(Press: 18 Torr)
- 밀도
- 0.962 · 0.962±0.06 g/cm3(Predicted)
- 증기압
- 0.22 Pa · 0.22Pa at 25℃
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 19.8% (317 of 1604) of reports.
Warning
H319 (80.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 1604 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 2H-Pyran-2-one, tetrahydro-6-(3-pentenyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2H-Pyran-2-one, tetrahydro-6-(3-penten-1-yl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-Pyran-2-one, tetrahydro-6-(3-penten-1-yl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Tetrahydro-6-(3-pentenyl)-2H-pyran-2-one (EC: 251-201-7)
2H-Pyran-2-one, tetrahydro-6-(3-pentenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesEye Irrit. 2 (80.2%)
안전 데이터
- wgk
- WGK 2
- tsca
- TSCA listed
- 기존화학 물질
- 2009-3-4076
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
U.S. Production2023: 9 lb
Consumer UsesFragrance
Household ProductsInformation on 3 consumer products that contain Tetrahydro-6-Pent-3-Enyl-Pyran-2-One in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2H-Pyran-2-one, tetrahydro-6-(3-penten-1-yl)-: ACTIVE
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