Pentadecanoic Acid
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
1002-84-2- 표준 SMILES
CCCCCCCCCCCCCCC(=O)O- InChIKey
WQEPLUUGTLDZJY-UHFFFAOYSA-N- 분자식
- C15H30O2
- 평균 분자량
- 242.4 g/mol
- 단동위원소 질량
- 242.2245802
개요
Pentadecanoic acid is a straight-chain saturated fatty acid containing fifteen-carbon atoms. It has a role as a plant metabolite, a food component, a Daphnia magna metabolite, an algal metabolite and a human blood serum metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a pentadecanoate.
이름 및 식별자
- 우선 이름
- Pentadecanoic Acid
- IUPAC
- pentadecanoic acid
- 영어명
- Pentadecanoic acid
- 분자식
- C15H30O2
- 분자량
- 242.4
이름 및 동의어
PENTADECANOIC ACID1002-84-2Pentadecylic acidn-Pentadecanoic acidC15:0DTXSID2021652CCW02D961FNSC-28486fatty acid 15:0FEMA NO. 4334CHEBI:42504DTXCID601652
이름 더 보기
NSC28486RefChem:171339213-693-1Pentadecyclic acidn-Pentadecylic acidMFCD00002745NSC 28486Pentadecanoic
데이터베이스 식별자
- CAS
1002-84-2- PubChem CID
- 13849
- DTXSID
DTXSID2021652- ChEMBL
CHEMBL460025- ChEBI
CHEBI:42504- UNII
- CCW02D961F
- EC Number
- 213-693-1
- Nikkaji
- J3.656K
물성
구조 계산 물성보충 중
- XLogP
- 5.8
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 166
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Organic Acids
Lipids
Lipids -> Unambiguous Lipids
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Straight chain fatty acids [FA0101]
SpringerMaterials PropertiesBoiling point
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Melting Point
52.3 °C
53 °C
Physical Description
Other Solid
White crystalline solid; [Alfa Aesar MSDS]
Solid
Collision Cross Section
165.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Unambiguous Lipids]
162.72 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
165.34 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
165.59 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
165.1 Ų [M-H]-
물리화학적 성질
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 0.7% (1 of 140) of reports.
Warning
H315 (99.3%): 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 140 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Pentadecanoic acid
Pentadecanoic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentadecanoic 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)
REACH registered substance: Pentadecanoic acid (EC: 213-693-1)
Pentadecanoic acid: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Pentadecanoic acid: Human health tier I assessment
Hazards SummaryCauses convulsions in intravenous lethal-dose studies of mice (LD50 = 54 mg/kg); [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (99.3%)
안전 및 보호
Protective Action Criteria (PAC)
0.18 [mg/m3]
1.9 [mg/m3]
화학 및 산업
약리 정보
Tissue LocationsAdipose Tissue
Cellular LocationsCytoplasm
용도 및 제조
UsesIn serum as a marker for intake of milk fat. [ChemIDplus]
U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesSoil amendments (fertilizers)
Industry UsesLubricating agent
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Plastics Product Manufacturing
Pentadecanoic acid: ACTIVE
관련 반응
18건
화합물 노트
불러오는 중…