기본 정보
- CAS
4430-31-3- 표준 SMILES
O=C1CCC2CCCCC2O1- InChIKey
MSFLYJIWLHSQLG-UHFFFAOYSA-N- 분자식
- C9H14O2
- 평균 분자량
- 154.21 g/mol
- 단동위원소 질량
- 154.09937969
개요
Octahydro-2H-1-benzopyran-2-one is a benzopyran.
이름 및 식별자
- 우선 이름
- Octahydrocoumarin
- IUPAC
- 3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
- 현지명
- 사이클로헥실 락톤
- 영어명
- Octahydrocoumarin
- 분자식
- C9H14O2
- 분자량
- 154.21
이름 및 동의어
Octahydrocoumarin4430-31-3Octahydro-2H-1-benzopyran-2-oneBicyclononalactoneCyclohexyllactoneCyclohexyl lactone2H-1-Benzopyran-2-one, octahydro-Octahydro-1-benzopyran-2-oneFEMA No. 3791COUMARIN, OCTAHYDRO-EINECS 224-623-4AI3-28142
이름 더 보기
사이클로헥실락톤Octahydrochromen-2-oneFEMA 3791octahydro-coumarioctahydro-2H-chroMen-2-oneOctahydrocouMarin USP/EP/BPoctahydro-2h-1-benzopyran-2-on
H6VNF31DVWDTXSID7052105RefChem:855864OCTAHYDROCOUMARIN [FHFI]DTXCID9030672CYCLOHEXANEPROPANOIC ACID, 2-HYDROXY-, GAMMA-LACTONECYCLOHEXANEPROPIONIC ACID, 2-HYDROXY-, GAMMA-LACTONECYCLOHEXANEPROPANOIC ACID, 2-HYDROXY-, .GAMMA.-LACTONE
데이터베이스 식별자
- CAS
4430-31-3- PubChem CID
- 20487
- DTXSID
DTXSID7052105- ChEBI
CHEBI:180439- EC Number
- 224-623-4
- Nikkaji
- J38.333C
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 165
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Octahydrocoumarin) -> IFRA transparency List
LogP2.520
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.089-1.096
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in oils
soluble (in ethanol)
Boiling Point
144.00 to 146.00 °C. @ 16.00 mm Hg
293-298 °C
Refractive Index1.489-1.493
Physical Description
CBI; Liquid
Colourless liquid; slight spicy note
물리화학적 성질
- 끓는 점
- 145 °C16 · 145 °C16 mm Hg(lit.)
- 밀도
- 1.092 g/mL · 1.092 g/mL at 25 °C(lit.)
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 14.7% (243 of 1651) of reports.
Warning
H319 (78%): 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 1651 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 2H-1-Benzopyran-2-one, octahydro-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2H-1-Benzopyran-2-one, octahydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-1-Benzopyran-2-one, octahydro- 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: Octahydro-2H-1-benzopyran-2-one (EC: 224-623-4)
2H-1-Benzopyran-2-one, octahydro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesEye Irrit. 2 (78%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- GN8261500
- 독성
- LD50 orl-rat: 3900 mg/kg FCTOD7 20(Suppl),781,82
- 기존화학 물질
- 2015-3-6735
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 10 consumer products that contain Octahydrocoumarin in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
2H-1-Benzopyran-2-one, octahydro-: ACTIVE
공급사58 곳
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd
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