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1,3-디팔미틴

1,3-Dipalmitin

HCID 68149
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
26657-95-4
표준 SMILES
CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC
InChIKey
GFAZGHREJPXDMH-UHFFFAOYSA-N
분자식
C35H68O5
평균 분자량
568.9 g/mol
단동위원소 질량
568.50667527

이름 및 식별자

우선 이름
1,3-Dipalmitin
IUPAC
(3-hexadecanoyloxy-2-hydroxypropyl) hexadecanoate
현지명
1,3-디팔미틴
영어명
1,3-DIPALMITIN
분자식
C35H68O5
분자량
568.91

이름 및 동의어

1,3-Dipalmitin502-52-3Glyceryl 1,3-dipalmitate(3-hexadecanoyloxy-2-hydroxypropyl) hexadecanoate52PAE2F168RefChem:935002207-942-31,3-DipalmitoylglycerolGlycerol 1,3-dipalmitate1,3-Dipalmitoyl-glycerol2-Hydroxypropane-1,3-diyl dipalmitate1,3-Di-(hexadecanoyl)-glycerol
이름 더 보기
1,3-디팔미틴1,3-Dipalmitoyl-rac-glycerolC16:0a,g-DipalMitinDIPALMITIN 1-3 ISOMER1,3-dipalmitin approx 99%
Glyceryl dipalmitate1,3-Dihexadecanoylglycerolalpha,gamma-dipalmitin2-hydroxypropane-1,3-diyl dihexadecanoateGlycerol dipalmitate3-(hexadecanoyloxy)-2-hydroxypropyl hexadecanoateHexadecanoic acid, 2-hydroxy-1,3-propanediyl esterPalmitin, 1,3-di-

데이터베이스 식별자

CAS
26657-95-4、502-52-3
PubChem CID
68149
DTXSID
DTXSID40964531
ChEMBL
CHEMBL2074860
ChEBI
CHEBI:77619
UNII
52PAE2F168
EC Number
207-942-3、247-886-7
Nikkaji
J6.202B

물성

구조 계산 물성

XLogP
14
극성 표면적
72.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
34
무거운 원자 수
40
형식 전하
0
복잡도
490

실험 및 물리화학적 성질

Melting Point73 - 74 °C
Physical DescriptionSolid

물리화학적 성질

녹는점
72 · 72-74 °C
끓는 점
628.6 · 628.6±22.0 °C(Predicted)
밀도
0.93 · 0.930±0.06 g/cm3(Predicted)
저장 조건
20 °C · −20°C
용해도
클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태
고체
산도 계수 (pKa)
12.63 · 12.63±0.20(Predicted)
색상
하얀색
생물학적 소스
synthetic (organic)
BRN
1809772 · 1809772
InChI
1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3
InChIKey
GFAZGHREJPXDMH-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC

화학적 성질

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 10% (2 of 20) of reports.

H411 (90%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 20 reports by companies from 2 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 2 of 20 reports by companies.;There is 1 notification provided by 18 of 20 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.

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

유해성 정보

Regulatory Information · 2건

Chemical: Hexadecanoic acid, 2-hydroxy-1,3-propanediyl ester

Hexadecanoic acid, diester with 1,2,3-propanetriol: 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.

Other Safety InformationIMAP assessments - Hexadecanoic acid, 2-hydroxy-1,3-propanediyl ester: Human health tier I assessment
Hazard Classes and Categories · 2건

Aquatic Chronic 2 (90%)

Not Classified

독성 정보

Toxicity Summary · 2건

The Expert Panel concluded that  ... Glyceryl Dipalmitate is safe as cosmetic ingredients in the practices of use and concentrations as described in this safety assessment provided that the content of 1,2-diesters is not high enough to induce epidermal hyperplasia.

화학 및 산업

약리 정보

Cellular LocationsExtracellular;Membrane

용도 및 제조

UsesCIR ingredient: Glyceryl Dipalmitate
Use ClassificationCosmetics -> Emulsifying; Emollient

응용 분야

용도A glycidol fatty acid esters in edible oils. An acyl acceptor for the unspecific bifunctional wax ester synthase/acyl-CoA:Diacylglycerol acyltransferase.

공급사39 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海纽雀客生物科技有限公司13916276291 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]

관련 반응

2건
반응 기록 만들기
HRID 157166 반응식
HRID 157166반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 964369 반응식
HRID 964369반응물로uspto-grants-1998_06

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

White Solid

Safe for use in cosmetics, with qualifications

규제 정보

Regulatory Information · 2건

Chemical: Hexadecanoic acid, 2-hydroxy-1,3-propanediyl ester

Hexadecanoic acid, diester with 1,2,3-propanetriol: 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.

안전 데이터

wgk
1
기존화학 물질
KE-20826
F 고인화성물질
10
스토리지 클래스
11 - Combustible Solids
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
Aladdin Scientific[email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
河北贞佳新材料有限公司0319-5925599 13315915972 · [email protected]
北京沃凯生物科技有限公司010-62971590 18548936886 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
浙江联硕生物科技有限公司18616526224 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]

추가 설명

정의ChEBI: A 1,3-diglyceride obtained by the formal acylation of positions 1 and 3 of glycerol by hexadecanoic (palmitic) acid.