기본 정보
- 표준 SMILES
CCCCCC/C=C\CCCCCCCC(=O)OC- InChIKey
IZFGRAGOVZCUFB-HJWRWDBZSA-N- 분자식
- C17H32O2
- 평균 분자량
- 268.4 g/mol
- 단동위원소 질량
- 268.24023026
이름 및 식별자
- 우선 이름
- Methyl palmitoleate
- IUPAC
- methyl (Z)-hexadec-9-enoate
- 현지명
- 메틸 팔미톨리에이트
- 영어명
- PALMITOLEIC ACID METHYL ESTER
- 분자식
- C17H32O2
- 분자량
- 268.43
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1120-25-8- PubChem CID
- 643801
- DTXSID
DTXSID00897351- ChEBI
CHEBI:84156- UNII
- 35695QDB9F
- EC Number
- 214-303-2
- Nikkaji
- J47.591B
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 221
실험 및 물리화학적 성질
Kovats Retention Index
1885.86;1881;1884;1896;1888;1889;1895;1882;1886;1887.5
1911.7;1932;1912;1879;1890;1898.1;1894.1;1900.1
2225;2242;2277;2236;2237;2245
물리화학적 성질
- 녹는점
- -0.5 · -0.5-0.5 °C (lit.)
- 끓는 점
- 180 · 180-183 °C/1 mmHg (lit.)
- 밀도
- 0.875 g/mL · 0.875 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.451(lit.)
- 인화점
- 113 °C · 113 °C
- 저장 조건
- -20 °C · -20°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 액체
- 색상
- 무색
- 생물학적 소스
- Macadamia integrifolia oil
- BRN
- 1726111 · 1726111
- 안정성
- 감광성
- InChI
- 1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8-
- InChIKey
- IZFGRAGOVZCUFB-HJWRWDBZSA-N
- SMILES
- CCCCCC\C=C/CCCCCCCC(=O)OC
- LogP
- 6.999 · 6.999 (est)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 66.7% (4 of 6) of all reports.
Warning
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 4 of 6 reports by companies.;There are 2 notifications provided by 2 of 6 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
안전 데이터
- wgk
- 1
- HS 번호
- 29161900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37
- 기존화학 물질
- KE-24212
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
개요Palmitoleic acid methyl ester is an ester version of palmitoleic acid , an ω-7 monounsaturated fatty acid that is a common constituent of the triglycerides of human adipose tissue. Palmitoleic acid-based diets raise low-density lipoprotein (LDL) cholesterol and lower high-density lipoprotein (HDL) cholesterol, even when dietary intake of cholesterol is maintained at a low level. Methyl esters of fatty acids are commonly used for the formulation of fatty acid-containing diets and dietary supplements.
용도Methyl Palmitoleate is used as a component in the preparation of a biodiesel fuels.
일반 설명Methyl palmitoleate is a major component of biodiesel having low temperature property, which is found to be more advantageous than methyl oleate.
상·하류 제품 정보
하류 제품
공급사50 곳
추가 설명
정의ChEBI: A fatty acid methyl ester obtained from the formal condensation of methanol and palmitoleic acid.
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