기본 정보
- CAS
110-41-8- 표준 SMILES
CCCCCCCCCC(C)C=O- InChIKey
NFAVNWJJYQAGNB-UHFFFAOYSA-N- 분자식
- C12H24O
- 평균 분자량
- 184.32 g/mol
- 단동위원소 질량
- 184.18271539
개요
2-methyl-Undecanal is a saturated fatty aldehyde and a 2-methyl-branched fatty aldehyde.
이름 및 식별자
- 우선 이름
- 2-Methylundecanal
- IUPAC
- 2-methylundecanal
- 영어명
- 2-METHYLUNDECANAL
- 분자식
- C12H24O
- 분자량
- 184.32
이름 및 동의어
2-Methylundecanal110-41-8UNDECANAL, 2-METHYL-Aldehyde M.N.A.MethylnonylacetaldehydeAldehyde C-12Methyl-n-nonylacetaldehyde2-MethylhendecanalMethylnonylacetic aldehydeAldehyde C-12 mna2-methyl UndecanalMethyl n-nonyl acetaldehyde
이름 더 보기
MNAFEMA 2749FEMA 2794methyln-nonylaceticaldehydeAldehydeMNAaldehydem.n.a.
Methyl nonyl acetic aldehyde2-Methyl-1-undecanalFEMA No. 2749Methyl nonyl acetaldehydeMethyl n-nonyl acetic aldehydeDTXSID9047629UNII-S94QNS2VY5EINECS 203-765-0
데이터베이스 식별자
- CAS
110-41-8- PubChem CID
- 61031
- DTXSID
DTXSID9047629- ChEMBL
CHEMBL3182849- ChEBI
CHEBI:229419- UNII
- S94QNS2VY5
- EC Number
- 203-765-0
- Nikkaji
- J127.230F
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 110
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Aldehydes
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (2-Methylundecanal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.822-0.830
Flavoring AgentsEU Flavoring substances
Solubility
soluble in fixed oils, alcohol, and propylene glycol (solution may be turbid); insoluble in glycerol
(in ethanol)
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point171 °C
Refractive Index1.431-1.436
Physical Description
Dry Powder; Liquid; Liquid; CBI
Slightly yellow liquid with a fatty odor; [Acros Organics MSDS]
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (> 99.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1925 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Undecanal, 2-methyl-
Regulation (EC) No 1831/2003 (amended)
Undecanal, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Undecanal, 2-methyl- 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: 13-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13317
Undecanal, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] May cause irritation; [Acros Organics MSDS] See Undecanal.
Hazard Classes and CategoriesSkin Irrit. 2 (> 99.9%)
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- YQ1509000
- 독성
- The acute oral LD50 value was reported as > 5 g/kg in the rat . The acute dermal LD50 for sample no. 71-16 was reported to be > 10 g/kg in the rabbit
- 기존화학 물질
- KE-25399
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 UsesFragrance
Household ProductsInformation on 98 consumer products that contain Methylundecanal in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Undecanal, 2-methyl-: ACTIVE
응용 분야
개요2-Methylundecanal has a characteristic fatty odor assuming a floral note on dilution. It has an acrid, fatty unpleasant flavor at high levels. At low levels, the flavor is honey- and nut-like. It may be prepared by cracking the corresponding glycidic acid; from α-nonyl acrolein; from methyl nonyl ketone and ethyl monochloroacetate in the presence of sodium ethylate.
출처Reported found in kumquat peel oil.
Perfumery, flavoring.
관련 반응
8건
화합물 노트
불러오는 중…