기본 정보
- 표준 SMILES
CCCCCCCCCC(O)CC(=O)O- InChIKey
MUCMKTPAZLSKTL-UHFFFAOYSA-N- 분자식
- C12H24O3
- 평균 분자량
- 216.32 g/mol
- 단동위원소 질량
- 216.17254463
개요
3-hydroxylauric acid is a medium-chain fatty acid that is the 3-hydroxylated derivative of lauric acid; associated with fatty acid metabolic disorders. It is a medium-chain fatty acid and a 3-hydroxy fatty acid. It is functionally related to a dodecanoic acid. It is a conjugate acid of a 3-hydroxylaurate.
이름 및 식별자
- 우선 이름
- (+-)-3-Hydroxydodecanoic acid
- IUPAC
- 3-hydroxydodecanoic acid
- 영어명
- 3-Hydroxydodecanoic acid
- 분자식
- C12H24O3
- 분자량
- 216.32
이름 및 동의어
3-Hydroxydodecanoic acid1883-13-23-Hydroxylauric acidDodecanoic acid, 3-hydroxy-3-hydroxy-dodecanoic acidCHEBI:36206DTXSID70862773RefChem:502554(+-)-3-Hydroxydodecanoic acidDTXCID80811494beta-Hydroxylauric acid3-hydroxy lauric acid
이름 더 보기
3-hydroxylauricaci3-HYDROXY C12:0 ACIDDL-β-Hydroxylauric acidDL-2-Hydroxylauric acidDodecanoic acid,3-hydroxy-DL-BETA-HYDROXYLAURIC ACID3-Hydroxydodecanoic acid, 98 %(+/-)-3-HYDROXYDODECANOIC ACID
53941-38-1MFCD001332793-OH lauric acid3-OH dodecanoic acidbeta-OH dodecanoic acidbeta-Hydroxydodecanoic acidGTPL5850CHEMBL4288936
데이터베이스 식별자
- CAS
1883-13-2- PubChem CID
- 94216
- DTXSID
DTXSID70862773- ChEMBL
CHEMBL4288936- ChEBI
CHEBI:36206- UNII
- JA9VER34Z8
- EC Number
- 808-499-4
- Nikkaji
- J111.042J
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 57.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 157
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
물리화학적 성질
- 녹는점
- 70 · 70-70.5 °C
- 끓는 점
- 113 · 113-115 °C(Press: 3 Torr)
- 밀도
- 0.987 · 0.987±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 4.38 · 4.38±0.10(Predicted)
- 색상
- 페일베이지부터 라이트베이지까지
- InChI
- InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
- InChIKey
- MUCMKTPAZLSKTL-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CC(O)CCCCCCCCC
- LogP
- 3.11 · 3.110 (est)
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 22
- hazard_code
- Xn
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도3-hydroxydodecanoic acid is used in the study of Lipid A, a major constituent of the lipopolysaccharides, which are responsible for the toxicity of gram negative bacteria. Also used in the synthesis of olefins from β-hydroxy carboxylic acids.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587
Compound Net Biotechnology Inc.15266686121 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
United Life Science020-82099279 18988941402 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
上海合寰化工科技有限公司18621911604 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
湖北丽都新材料科技有限公司19307245857 · [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]
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]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海瀚思化工有限公司17717618050 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
上海右肯医药科技有限公司021-37910267 15821801668 · [email protected]
Aladdin Scientific[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海锋基医药科技有限公司15555063509 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
沃尔吉明（北京）技术开发院18610294897 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海智溯科生物科技有限公司021-58056897 15399714481 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
上海盛袖生物科技有限公司13761144602 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
추가 설명
정의ChEBI: A medium-chain fatty acid that is the 3-hydroxylated derivative of lauric acid; associated with fatty acid metabolic disorders.
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