운데칸알
Undecanal
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기본 정보
- CAS
112-44-7- 표준 SMILES
CCCCCCCCCCC=O- InChIKey
KMPQYAYAQWNLME-UHFFFAOYSA-N- 분자식
- C11H22O
- 평균 분자량
- 170.29 g/mol
- 단동위원소 질량
- 170.16706532
개요
Undecanal is a saturated fatty aldehyde formally arising from reduction of the carboxylic acid group of undecanoic acid. It is a component of essential oils from citrus plants like Citrus reticulata. It has a role as a volatile oil component, an antimycobacterial drug and a plant metabolite. It is a n-alkanal, a saturated fatty aldehyde and a medium-chain fatty aldehyde. It is a tautomer of an undec-1-en-1-ol.
이름 및 식별자
- 우선 이름
- Undecanal
- IUPAC
- undecanal
- 현지명
- 운데칸알
- 영어명
- Undecanal
- 분자식
- C11H22O
- 분자량
- 170.29
이름 및 동의어
UNDECANAL112-44-7Undecyl aldehydeUndecanaldehyden-UndecanalUndecylic aldehyde1-UndecanalHendecanalHendecanaldehydeUndecylaldehyden-Undecyl aldehydeC11 aldehyde
이름 더 보기
운데칸알운데카날데칸알ALDEHYDE C-11ALDEHYDE C-11 UNDECYLICFEMA 3092UndecanylaldehydeUndecal
FEMA No. 3092Undecanone, alpha-B6P0A9PSHNDTXSID4021688DTXCID901688NSC-22578CHEBI:46202RefChem:193068
데이터베이스 식별자
- CAS
112-44-7- PubChem CID
- 8186
- DTXSID
DTXSID4021688- ChEMBL
CHEMBL1236576- ChEBI
CHEBI:46202- UNII
- B6P0A9PSHN
- EC Number
- 203-972-6
- Nikkaji
- J61.748B
물성
구조 계산 물성보충 중
- XLogP
- 4.3
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 89
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Aldehydes
DrugsPharmaceuticals -> Listed in ZINC15
LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Undecanal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.825-0.832
Flavoring AgentsEU Flavoring substances
Solubility
soluble in most fixed oils, propylene glycol; insoluble in glycerol, water
1 ml in 5 ml of 70% alcohol (in ethanol)
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point
109.00 to 115.00 °C. @ 5.00 mm Hg
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (84%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1877 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Undecanal
Undecanal is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Undecanal 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)
Status: Active Update: 22-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10847
Undecanal: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A mild skin irritant; [RTECS] n-Alkyl Aldehydes: Category members and supporting chemicals demonstrate skin and eye irritation; No evidence of skin sensitization; Low acute toxicity by dermal and oral exposure; Moderate acute inhalation toxicity; Moderate to high toxicity by repeated inhalation exposures; Moderate toxicity by repeated-dose oral administration; Low hazards for reproductive and developmental toxicity; [EPA ChAMP: Hazard Characterization] Safe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (84%)
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- YQ1500000
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
UsesUsed as flavoring agent or adjuvant; [FDA]
U.S. Production2023: 10,000,000 - <25,000,000 lb
Consumer UsesFragrance
Industry UsesIntermediate
Household ProductsInformation on 13 consumer products that contain Undecanal in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Undecanal: ACTIVE
응용 분야
출처Reported found in essential oils of citrus peels, lemon, caviar, cooked beef, chicken, lamb, pork, coriander leaf, cucumber, fish, grapefruit juice, apple, orange juice, bilberry, cranberry, raspberry, blackberry, carrot, celery, baked potato, Gruyere cheese, Russian cheese, butter, milk, fatty fish, hop oil, beer, cognac, tea, peanut oil, pecan, starfruit, coriander seed, rice, calamus, buckwheat, red sage, loganberry and maté.
용도Undecanal is a flavoring agent that is a liquid, colorless or pale yellow, with a sweet odor. it is soluble in most fixed oils, mineral oil, and propylene glycol; insoluble in glycerin. it is obtained by chemical synthesis. it is also termed aldehyde c-11 undecyclic and n-undecyl aldehyde.
관련 반응
23건
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