운데카논산
Undecanoic Acid
기본 정보
- CAS
112-37-8- 표준 SMILES
CCCCCCCCCCC(=O)O- InChIKey
ZDPHROOEEOARMN-UHFFFAOYSA-N- 분자식
- C11H22O2
- 평균 분자량
- 186.29 g/mol
- 단동위원소 질량
- 186.16197994
개요
Undecanoic acid is a white crystalline solid. Insoluble in water. Specific gravity 0.85. Hence floats on water.
이름 및 식별자
- 우선 이름
- Undecanoic Acid
- IUPAC
- undecanoic acid
- 현지명
- 운데카논산
- 영어명
- Hendecanoic acid
- 분자식
- C11H22O2
- 분자량
- 186.29
이름 및 동의어
UNDECANOIC ACID112-37-8Hendecanoic acidUndecylic acidn-Undecoic acidn-Undecanoic acidn-Undecylic acidUndecoic acid1-Decanecarboxylic acidDTXSID8021690NSC-7885138ON3IIQG
이름 더 보기
운데카논산운데카노익애씨드운데칸산FEMA 3245Hendecylic acidUNDECYCLIC ACIDCARBOXYLIC ACID C1111:0acid c-11AKOS 212-94Undecansαure
CHEBI:32368DTXCID001690RefChem:193083203-964-2undecanoateFEMA No. 3245Undecanoate [USAN]MFCD00002730
데이터베이스 식별자
- CAS
112-37-8- PubChem CID
- 8180
- DTXSID
DTXSID8021690- ChEMBL
CHEMBL108030- ChEBI
CHEBI:32368- UNII
- 138ON3IIQG
- EC Number
- 203-964-2
- Nikkaji
- J1.993C
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 121
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Organic Acids
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Straight chain fatty acids [FA0101]
Cosmetics
Cosmetic ingredients (Undecanoic Acid) -> CIR (Cosmetic Ingredient Review)
Antiseborrhoeic; Cleansing; Emulsifying
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Undecanoic acid) -> IFRA transparency List
LogP
4.42
4.42
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
0.891 (USCG, 1999) - Less dense than water; will float
0.9948 (20 °C/20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
0.0522 mg/mL
Insoluble in water; very soluble in alcohol, chloroform, acetone
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 1.2% (2 of 167) of reports.
Warning
H315 (98.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 167 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Undecanoic acid
Undecanoic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Undecanoic acid 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: 16-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16828
Undecanoic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Fire HazardsSpecial Hazards of Combustion Products: Dust explosion is possible. (USCG, 1999)
Health HazardsMay be harmful by inhalation, ingestion or skin absorption. Material is irritating to mucous membrane and upper respiratory tract. Causes eye and skin irritation. (USCG, 1999)
Hazards Summary
A mild skin irritant; Causes convulsions in intravenous lethal-dose studies of mice; [RTECS] Causes severe skin irritation and serious eye injury; Brief contact can causes second- and third-degree skin burns; Vapors, dust, or mist causes severe eye and throat irritation and may cause injury to the eye and lung; [CHRIS] Safe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Sigma-Aldrich MSDS]
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
Uses
CIR ingredient: Undecanoic Acid
Used as flavoring agent or adjuvant; [FDA]
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesSoil amendments (fertilizers)
Industry UsesSoil amendments (fertilizers)
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Cosmetics -> Antiseborrhoeic; Cleansing; Emulsifying
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Undecanoic acid: ACTIVE
응용 분야
개요Undecanoic acid is a saturated fatty acid containing eleven carbons (C11:0). It is cytotoxic to certain filamentous fungi and is used to study fungal mechanisms of resistance. Undecanoic acid is also used to acylate larger molecules.
출처Occurs naturally in butter and in the oil of Artemisisa frigida Willd.; also reported found in the oils of Chamaecyparis pisifera Engl., wild thyme, Thymus marschollianus and coconut. Also reported found in apple, banana, sour cherry, lemon and mandarin peel oil, grapefruit juice, guava, grapes, papaya, many cheeses, milk powder, chicken and beef fat, cooked mutton, cured pork, beer, cognac, rum, whiskies, white wine, tea, coconut milk, beans, licorice, mango, mushrooms, rice, sake, wort, loquat, scallop and maté.
관련 반응
17건
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