기본 정보
- CAS
705-86-2- 표준 SMILES
CCCCCC1CCCC(=O)O1- InChIKey
GHBSPIPJMLAMEP-UHFFFAOYSA-N- 분자식
- C10H18O2
- 평균 분자량
- 170.25 g/mol
- 단동위원소 질량
- 170.13067981
개요
6-pentyloxan-2-one is a delta-lactone that is 5-valerolactone substituted by a pentyl group at position 6. It has a role as a metabolite. It is functionally related to a 5-valerolactone.
이름 및 식별자
- 우선 이름
- delta-Decalactone
- IUPAC
- 6-pentyloxan-2-one
- 현지명
- 델타-데카락톤
- 영어명
- 5-Decanolide
- 분자식
- C10H18O2
- 분자량
- 170.25
이름 및 동의어
DELTA-DECALACTONE705-86-26-Pentyltetrahydro-2H-pyran-2-one5-Decanolide6-pentyloxan-2-onedelta-Decanolactone5-Decalactone2H-Pyran-2-one, tetrahydro-6-pentyl-Decan-5-olidedelta-Decalactone (natural)FEMA No. 2361Tetrahydro-6-pentyl-2H-pyran-2-one
이름 더 보기
델타-데카락톤δ-DecalactoneDecalactone DeltaD-DECALACTONEdelta-lactoneδ-DecanolactoneFEMA 2361
delta-Pentyl-delta-valerolactone.delta.-Decalactone5-Amyl-5-hydroxypentanoic acid lactoneDTXSID0044496.DELTA.-LACTONE-EINECS 211-889-1UNII-CNA0S5T234.delta.-Decanolide
데이터베이스 식별자
- CAS
705-86-2- PubChem CID
- 12810
- DTXSID
DTXSID0044496- ChEMBL
CHEMBL3182189- ChEBI
CHEBI:87327- UNII
- CNA0S5T234
- EC Number
- 211-889-1
- Nikkaji
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 143
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Lactones [FA0704]
CosmeticsMasking
FragrancesFragrance Ingredient (delta-Decalactone) -> IFRA transparency List
Food Additives
FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Food
Density0.964-0.971
Flavoring AgentsEU Flavoring substances
Solubility
very slightly
very soluble in alcohol and propylene glycol; insoluble in water
(in ethanol)
Boiling Point
117.00 to 120.00 °C. @ 0.02 mm Hg
281 °C
Melting Point-27.00 °C. @ 760.00 mm Hg
Refractive Index1.456-1.459
Physical Description
CBI; Liquid
colourless liquid with a coconut-fruity odour, butter-like on dilution
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 95.3% (1647 of 1728) of all reports.
Not Classified
Aggregated GHS information provided per 1728 reports by companies from 7 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 2H-Pyran-2-one, tetrahydro-6-pentyl-
Regulation (EC) No 1831/2003 (amended)
2H-Pyran-2-one, tetrahydro-6-pentyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-Pyran-2-one, tetrahydro-6-pentyl- 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: Decan-5-olide (EC: 211-889-1)
2H-Pyran-2-one, tetrahydro-6-pentyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- UQ1355000
- HS 번호
- 29322090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-37/39-26
- 기존화학 물질
- KE-33494
- 위험 참고 사항
- Irritant
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
U.S. Production2023: 7,000,000 - <8,500,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 14 consumer products that contain Delta-Decalactone in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Cosmetics -> Masking
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
2H-Pyran-2-one, tetrahydro-6-pentyl-: ACTIVE
응용 분야
출처Reported found in rum, coconut, raspberry, apricot, bilberry, peach, strawberry, Swiss cheese, other cheeses, butter, milk, milk powder, mutton fat, mango and nectarine.
용도Used in pharmaceutical preparations, feed additive, flavorings agent. Also used by food and flavor industries for its coconut fragrance and taste. It is also used as a reagent in the synthesis of (±)-Massoilactone (M197600); a chemical component with antibacterial activity found in volatile oils.
일반 설명Measurement of optical rotatory dispersion and circular dichroism of (+) 5-decanolide (tetrahydro-6-pentyl-2H-pyran-2-one) has been reported.
제조 방법
관련 반응
2건
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