팜애씨드
Palmitoleic Acid
기본 정보
- CAS
373-49-9- 표준 SMILES
CCCCCC/C=C\CCCCCCCC(=O)O- InChIKey
SECPZKHBENQXJG-FPLPWBNLSA-N- 분자식
- C16H30O2
- 평균 분자량
- 254.41 g/mol
- 단동위원소 질량
- 254.2245802
개요
Palmitoleic acid is a hexadec-9-enoic acid in which the double bond at position C-9 has cis configuration. It has a role as an Escherichia coli metabolite, an EC 3.1.1.1 (carboxylesterase) inhibitor, a Daphnia galeata metabolite, an algal metabolite and a human blood serum metabolite. It is a conjugate acid of a palmitoleate.
이름 및 식별자
- 우선 이름
- Palmitoleic Acid
- IUPAC
- (Z)-hexadec-9-enoic acid
- 현지명
- 팜애씨드
- 영어명
- Palmitoleic acid
- 분자식
- C16H30O2
- 분자량
- 254.41
이름 및 동의어
palmitoleic acid373-49-9(Z)-Hexadec-9-enoic acidcis-9-Hexadecenoic acid9-cis-Hexadecenoic acid(9Z)-hexadec-9-enoic acidzoomaric acidcis-Palmitoleic acidOleopalmitic acidcis-9-palmitoleic acidZoomeric acid(9Z)-Hexadecenoic acid
이름 더 보기
팜애씨드9-HEXADECENOIC ACIDC16:1PALM ACID(Z)-9-hexadecenoic acidPalmitoleicPalmitoleic Acid(PA)
9Z-hexadecenoic acidDTXSID0041197CHEBI:28716209B6YPZ4IDTXCID802119716:1(N-7)NSC-277452C16:1 trans-9
데이터베이스 식별자
- CAS
373-49-9- PubChem CID
- 445638
- DTXSID
DTXSID0041197- ChEMBL
CHEMBL453509- ChEBI
CHEBI:28716- UNII
- 209B6YPZ4I
- EC Number
- 206-765-9
- Nikkaji
- J12.503B
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 209
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Lipids
Lipids -> Unambiguous Lipids
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point-0.1 °C
Physical DescriptionLiquid
Collision Cross Section
168.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0041197]
167.3 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
167.95 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
167.86 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
167.8 Ų [M-H]-
물리화학적 성질
- 녹는점
- 0.5 °C · 0.5 °C (lit.)
- 끓는 점
- 162 °C/0.6 · 162 °C/0.6 mmHg (lit.)
- 밀도
- 0.895 g/mL · 0.895 g/mL at 20 °C (lit.)
- 굴절률
- 1.457 · 1.457-1.459
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 26.4% (78 of 295) of reports.
Warning
H315 (73.6%): 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 295 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information9-Hexadecenoic acid, (9Z)-: 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.
EPA Safer Chemical
Chemical: (Z)-9-Hexadecenoic acid
Chemical: Palmitoleic acid
Hazard Classes and CategoriesSkin Irrit. 2 (73.6%)
안전 데이터
- wgk
- 3
- ridadr
- NA 1993 / PGIII
- HS 번호
- 29161995
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26-36
- 위험 등급
- CBL
- 기존화학 물질
- KE-18479
- Hazard Classifications
- Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Tissue LocationsAdipose Tissue
Cellular LocationsExtracellular
용도 및 제조
Household ProductsInformation on 2 consumer products that contain Palmitoleic acid in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Surfactants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
EPA Safer Chemical Functional Use Classes -> Surfactants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
응용 분야
개요Palmitoleic acid, or (Z)-9-hexadecenoic acid, is an omega - 7 mono unsaturated fatty acid with the formula CH3(CH2)5CH=CH(CH2)7COOH that is a common constituent of the glycerides of human adipose tissue. It is present in all tissues, but generally found in higher concentrations in the liver. It is biosynthesized from palmitic acid by the action of the enzyme delta-9 desaturase. A beneficial fatty acid, it has been shown to increase insulin sensitivity by suppressing inflammation, as well as inhibit the destruction of insulin-secreting pancreatic beta cells.
출처Palmitoleic acid can be abbreviated as 16:1Δ9. Dietary sources of palmitoleic acid include a variety of animal oils, vegetable oils, and marine oils. Macadamia oil (Macadamia integrifolia) and sea buckthorn oil (Hippophae rhamnoides) are botanical sources with high concentrations, containing 17 % and 40 % of palmitoleic acid, respectively.
일반 설명Palmitoleic acid is a monounsaturated fatty acid found in macadamia oil and also in blood plasma. In the human body it is produced via endogenous fat synthesis.
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