9-Decenoic acid
기본 정보
- CAS
14436-32-9- 표준 SMILES
C=CCCCCCCCC(=O)O- InChIKey
KHAVLLBUVKBTBG-UHFFFAOYSA-N- 분자식
- C10H18O2
- 평균 분자량
- 170.25 g/mol
- 단동위원소 질량
- 170.13067981
개요
Dec-9-enoic acid is a decenoic acid having the double bond at position 9. It has a role as a metabolite. It is a conjugate acid of a dec-9-enoate.
이름 및 식별자
- 우선 이름
- 9-Decenoic acid
- IUPAC
- dec-9-enoic acid
- 영어명
- 9-Decenoic acid
- 분자식
- C10H18O2
- 분자량
- 170.25
이름 및 동의어
9-Decenoic aciddec-9-enoic acidCaproleic acidFEMA No. 3660UNII-U2E27P3TGKU2E27P3TGKFEMA 36609Z-DECENOIC ACIDEINECS 238-410-99-DECENOIC ACID [FHFI]CHEBI:32381DTXSID30162685
이름 더 보기
Decenoicacid9-Decensureec-9-enoicaci9-decene-1-acidFEMA NUMBER 36609-DecenoicAcid>
C10:1n-1Dec9enoic acidRefChem:107836DTXCID9085176238-410-9KHAVLLBUVKBTBG-UHFFFAOYSA-N14436-32-99-decylenic acid
데이터베이스 식별자
- CAS
14436-32-9- PubChem CID
- 61743
- DTXSID
DTXSID30162685- ChEBI
CHEBI:32381- UNII
- U2E27P3TGK
- EC Number
- 238-410-9
- Nikkaji
- J81.770H
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 130
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Organic Acids
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.893-0.913 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in alcohol
(in ethanol)
Boiling Point
269.00 to 271.00 °C. @ 760.00 mm Hg
270 °C
Refractive Index1.44-1.46
Physical Description
Colorless liquid; [Sigma-Aldrich MSDS]
Liquid
colourless to pale yellow liquid with a very waxy, somewhat fruity and milky odour
물리화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 1445 reports by companies from 8 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 9-Decenoic acid
9-Decenoic acid: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] Stabilized with 0.1% a-tocopherol (CAS# 10191-41-0); A skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- HS 번호
- 2916.19.3000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 위험 등급
- IRRITANT
- 기존화학 물질
- KE-09513
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
UsesUsed as a flavoring agent; [FDA]
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
응용 분야
출처Reported found in butterfat, Swiss, blue, cheddar, Romano, and Parmesan cheeses and goat, sheep and other cheeses, mutton, hop oil, beer, white and red wine.
용도9-Decenoic Acid is used to prepare epothilones A and B via macroaldolization, olefin metathesis and macrolactonization. It is also used to synthesize potent, selective, and efficacious reversible α-ketoheterocycle inhibitors of fatty acid amide hydrolase effective as analgesics.
상·하류 제품 정보
상류 원료
관련 반응
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