기본 정보
- 표준 SMILES
CCCCCCCCCCCCCCCc1cccc(O)c1- InChIKey
PTFIPECGHSYQNR-UHFFFAOYSA-N- 분자식
- C21H36O
- 평균 분자량
- 304.5 g/mol
- 단동위원소 질량
- 304.27661577
개요
3-Pentadecylphenol is a member of phenols.
이름 및 식별자
- 우선 이름
- Hydrogenated cardanol
- IUPAC
- 3-pentadecylphenol
- 영어명
- 3-Pentadecylphenol
- 분자식
- C21H36O
- 분자량
- 304.51
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
501-24-6- PubChem CID
- 68146
- DTXSID
DTXSID9060108- ChEMBL
CHEMBL34689- ChEBI
CHEBI:174189- UNII
- J10ATZ45ZU
- EC Number
- 207-921-9
- Nikkaji
- J150.114C
물성
구조 계산 물성
- XLogP
- 9.4
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 226
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 50 · 50-53 °C(lit.)
- 끓는 점
- 190 · 190-195 °C1 mm Hg(lit.)
- 밀도
- 0.9096 · 0.9096 (rough estimate)
- 굴절률
- 1.496 · 1.4960 (estimate)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 10.06 · 10.06±0.10(Predicted)
- 물리적 상태
- powder to lump
- 색상
- 흰색에서 회색, 갈색까지
- 주요 응용
- 음식 및 음료
- InChI
- InChI=1S/C21H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h15,17-19,22H,2-14,16H2,1H3
- InChIKey
- PTFIPECGHSYQNR-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=CC(CCCCCCCCCCCCCCC)=C1
- EPA
- 3 · Phenol, 3-pentadecyl- (501-24-6)
화학적 성질
slightly brown to pink-brown crystalline chunks
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (93.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29071990
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-36
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
용도 및 제조
응용 분야
개요3-Pentadecylphenol (PDP) is an amphiphilic compound and belongs to a large group of phenolic lipids which is composed of an aromatic headgroup related to phenol or dihydroxybenzene connected to a hydrophobic hydrocarbon chain. PDP is derived from the shell of the cashew nut (Anacardium occidentale L.) which contains oil internationally named “cashew nut shell liquid” (CNSL). PDP can effectively function as an antiobesity agent by inhibiting the activity of α-glucosidase enzyme and finally can regulate body weight in the animal. PDP has also quite promising antioxidant activity. Researchers believe that this compound as an amphiphilic compound should be inserted into the biomembranes and be the antioxidant agent[1]. In particular, phenolic lipids comprise a large group of compounds of natural abundance, which are found in plants, fungi, and bacteria and have different biological functions, like antibacterial, fungicides, and cytotoxic activity[2].
용도3-Pentadecylphenol may be used as a reference standard for the analysis of 3-pentadecylphenol as a bioactive compound in Aplotaxis auriculata rhizome by gas chromatography-mass spectrometry (GC-MS). It has been reported to have been used as a reference standard for the determination of 3-pentadecylphenol in Sakhalin-Ainu as well as Ryukyu lacquerwares and in Japanese ancient lacquerwares excavated from Jomon period ruins by pyrolysis GC-MS.
일반 설명3-Pentadecylphenol is classified under the amphiphilic phenolic lipids group of chemicals.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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