Basic information
- CAS
3669-80-5- Standard SMILES
O=C(O)CCCCCCCCCCO- InChIKey
KNRCBASNXNXUQQ-UHFFFAOYSA-N- Molecular formula
- C11H22O3
- Average molar mass
- 202.29 g/mol
- Monoisotopic mass
- 202.15689456
Overview
11-hydroxyundecanoic acid is an -hydroxy fatty acid that is undecanoic acid in which one of the hydrogens of the terminal methyl group is replaced by a hydroxy group. It is an omega-hydroxy-medium-chain fatty acid and a straight-chain fatty acid. It is functionally related to an undecanoic acid.
Names & identifiers
- Preferred name
- 11-Hydroxyundecanoic acid
- IUPAC
- 11-hydroxyundecanoic acid
- English name
- 11-Hydroxyundecanoic acid
- Molecular formula
- C11H22O3
- Molecular weight
- 202.29
Names & synonyms
11-Hydroxyundecanoic acid3669-80-5Undecanoic acid, 11-hydroxy-SD6J9LX2XKomega-hydroxyhendecanoic acid11-HUDACHEBI:79126EINECS 222-932-9DTXSID40190136RefChem:437253DTXCID50112627222-932-9
Show more names
1-HYDROXYUNDECANOIC ACIDTIMTEC-BB SBB00909611-hydroxyundecanoate11-HYDROXYUNDECYLIC ACID11-HYDROXYUNDECANOIC ACID 98%11-Hydroxyundecanoic acid,98%11-hydroxyundecanoic acid CAS NO.3669-80-5
omega-hydroxy hendecanoic acidMFCD0004156411-hydroxy-undecanoic acidUNII-SD6J9LX2XKSTK090724AKOS005394200GS-0673CS-0204838
Database identifiers
- CAS
3669-80-5- PubChem CID
- 77237
- DTXSID
DTXSID40190136- ChEBI
CHEBI:79126- UNII
- SD6J9LX2XK
- EC Number
- 222-932-9
- Nikkaji
- J205.584H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 134
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Physicochemical properties
- Melting point
- 65 · 65-69 °C
- Boiling point
- 280.42 °C · 280.42°C (rough estimate)
- Density
- 1.027 · 1.0270 (rough estimate)
- refractive index
- 1.4174 · 1.4174 (estimate)
- storage temp.
- Store at room temperature
- solubility
- Chloroform, DCM, Ethyl Acetate, Methanol
- form
- Solid
- pka
- 4.78 · 4.78±0.10(Predicted)
- color
- White
- InChI
- InChI=1S/C11H22O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h12H,1-10H2,(H,13,14)
- InChIKey
- KNRCBASNXNXUQQ-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CCCCCCCCCCO
- LogP
- 2.49 · 2.490 (est)
- CAS DataBase Reference
- 3669 · 3669-80-5(CAS DataBase Reference)
- FDA UNII
- 6 J9LX2XK · SD6J9LX2XK
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HS Code
- 29181998 · 29181998
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29181998
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses11-Hydroxyundecanoic acid can be prepared by employing the following starting reagents:10-undecenoic acidundecylenic acid and hydrobromic acidmethyl 11-bromoundecanoatericinoleic acid (12-hydroxyoleic acid)
Upstream & downstream products
Upstream raw materials
Suppliers61 total
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Dalian Ruiying Technology Co., Ltd.+86-0411-86907150 +86-15940963210 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
天津安浩生物科技有限公司[email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [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]
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]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
上海德欣致远生物技术有限公司58088081 18317173152 · [email protected]
重庆艾思摩尔科技有限公司023-86822659 18611316925 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
JACS-郑州杰克斯化工产品有限公司0371-0371-86259281 15981966935 · [email protected]
安徽宏瀚研新药业有限公司0551-62626652 19334025048
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
上海泰坦科技股份有限公司18616708014 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Zjartspharm Co., Ltd15068876005 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
大连锐盈科技有限公司0411-86907150 15940963210 · [email protected]
南京阿斯法姆医药科技有限公司02558867862; 18751812725 · [email protected]
上海右肯医药科技有限公司021-37910267 15821801668 · [email protected]
Aladdin Scientific[email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
湖北信康医药化工有限公司027-027-59308705 18871579363 · [email protected]
Additional notes
DefinitionChEBI: An omega-hydroxy fatty acid that is undecanoic acid in which one of the hydrogens of the terminal methyl group is replaced by a hydroxy group.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…