Basic information
- CAS
765-04-8- Standard SMILES
OCCCCCCCCCCCO- InChIKey
XSMIOONHPKRREI-UHFFFAOYSA-N- Molecular formula
- C11H24O2
- Average molar mass
- 188.31 g/mol
- Monoisotopic mass
- 188.17763
Overview
Undecane-1,11-diol is a diol that is undecane in which a hydrogen attached to each of the terminal methyl groups has been replaced by a hydroxy group. It is a primary alcohol, a diol and an aliphatic alcohol.
Names & identifiers
- Preferred name
- Undecane-1,11-diol
- IUPAC
- undecane-1,11-diol
- English name
- 1,11-Undecanediol
- Molecular formula
- C11H24O2
- Molecular weight
- 188.31
Names & synonyms
Undecane-1,11-diol1,11-UndecanediolEINECS 212-135-4DTXSID50227301CHEBI:131330NSC 4030RefChem:193075DTXCID10149792212-135-4XSMIOONHPKRREI-UHFFFAOYSA-N765-04-81,11-dihydroxyundecane
Show more names
1,11-Undecanedio1,11-UNDECANEDIOL 99.0%
UndecylenalkoholC11H24O2MFCD00041568NSC4030NSC-4030SCHEMBL183377BDBM36274CS-W005218
Database identifiers
- CAS
765-04-8- PubChem CID
- 69822
- DTXSID
DTXSID50227301- ChEBI
CHEBI:131330- UNII
- 7N48TVC43D
- EC Number
- 212-135-4
- Nikkaji
- J193.130J
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 74.2
Physicochemical properties
- Melting point
- 62 °C · 62°C
- Boiling point
- 271.93 °C · 271.93°C (rough estimate)
- Density
- 0.9314 · 0.9314 (rough estimate)
- refractive index
- 1.4627 · 1.4627 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 14.9 · 14.90±0.10(Predicted)
- color
- White to Off-White
- InChI
- InChI=1S/C11H24O2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2
- InChIKey
- XSMIOONHPKRREI-UHFFFAOYSA-N
- SMILES
- C(O)CCCCCCCCCCO
- FDA UNII
- 7 N48TVC43D · 7N48TVC43D
- NIST Chemistry Reference
- 1 · 1,11-Undecanediol(765-04-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses1,11-Undecanediol, n-alkanols, α,ω-n-alkanediols, and ω-chloro-α-alkanols has been used studied for antifungal property
Upstream & downstream products
Downstream products
Suppliers100 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
常州瀚轩生物科技有限公司18602598900，18605190599 18602598900 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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