기본 정보
- CAS
45019-28-1- 표준 SMILES
CCCCCC(C)CCC(=O)O- InChIKey
WQTZCQIRCYSUBQ-UHFFFAOYSA-N- 분자식
- C10H20O2
- 평균 분자량
- 172.26 g/mol
- 단동위원소 질량
- 172.14632988
개요
4-Methylnonanoic acid is a medium-chain fatty acid.
이름 및 식별자
- 우선 이름
- 4-Methylnonanoic acid
- IUPAC
- 4-methylnonanoic acid
- 영어명
- 4-Methylnonanoic acid
- 분자식
- C10H20O2
- 분자량
- 172.26
이름 및 동의어
4-Methylnonanoic acid45019-28-1Nonanoic acid, 4-methyl-4-Methylpelargonic acid4-methyl nonanoic acidFEMA No. 3574Methylpelargonic acidEINECS 256-180-8UNII-5BKU622F1K5BKU622F1KAI3-30047DTXSID80866121
이름 더 보기
FEMA 3574FEMA NUMBER 35744-methyl-nonanoicaci4-Methylnonan-1-sure4-methylpelonaic acid
4-METHYLNONANOIC ACID [FHFI]RefChem:99904DTXCID40814446(+-)-4-METHYLNONANOIC ACID4-METHYLNONANOIC ACID, (+-)-256-180-8WQTZCQIRCYSUBQ-UHFFFAOYSA-NMFCD00051789
데이터베이스 식별자
- CAS
45019-28-1- PubChem CID
- 62003
- DTXSID
DTXSID80866121- ChEBI
CHEBI:179535- UNII
- 5BKU622F1K
- EC Number
- 256-180-8
- Nikkaji
- J319.941J
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 121
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
SpringerMaterials PropertiesDensity
FragrancesFragrance Ingredient (4-Methylnonanoic acid) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.900-0.909 (20 °C/20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water
(in ethanol)
Boiling Point
292.00 to 293.00 °C. @ 760.00 mm Hg
292-293 °C
Refractive Index1.433-1.44
Physical Descriptioncolourless to pale yellow liquid with a costus, animal odour
물리화학적 성질
- 끓는 점
- 292 · 292-293 °C (lit.)
- 밀도
- 0.871 g/mL · 0.871 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.4355(lit.)
- FEMA
- 3574 · 3574 | 4-METHYLNONANOIC ACID
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 4.8 · 4.80±0.10(Predicted)
- 냄새
- 1 % · 프로필렌 글리콜 중 1.00%. 고기가 많은 돼지고기 양고기 닭고기
- 냄새 유형
- 고기가 많은
- 생물학적 소스
- synthetic
- JECFA Number
- 274 · 274
- BRN
- 1758201 · 1758201
- 주요 응용
- 향료 및 향
- InChI
- 1S/C10H20O2/c1-3-4-5-6-9(2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
- InChIKey
- WQTZCQIRCYSUBQ-UHFFFAOYSA-N
- SMILES
- CCCCCC(C)CCC(O)=O
- LogP
- 3.78 · 3.78
- EPA
- 4 · Nonanoic acid, 4-methyl- (45019-28-1)
화학적 성질
4-Methylnonanoic acid has a costus, animal odor.
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 < 0.1% (1 of 1447) of reports.
Warning
H315 (91.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 1447 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Nonanoic acid, 4-methyl-
Regulation (EC) No 1831/2003 (amended)
Nonanoic acid, 4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (91.4%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- HS 번호
- 2915.90.1800
- risk_code
- 34-43-52/53
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- 포장분류
- III
- 위험 등급
- 8
- 기존화학 물질
- KE-24481
- Hazard Classifications
- Skin Corr. 1BSkin Sens. 1
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationNonanoic acid, 4-methyl-: ACTIVE
응용 분야
출처Reported found in cooked mutton fat, romano cheese, sheep and goat cheese and raw and cooked mutton
상·하류 제품 정보
상류 원료
공급사100 곳
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