Basic information
- CAS
4272-06-4- Standard SMILES
CCCCCCCC(O)CCC- InChIKey
FNORHVDKJWGANC-UHFFFAOYSA-N- Molecular formula
- C11H24O
- Average molar mass
- 172.31 g/mol
- Monoisotopic mass
- 172.18271539
Overview
Undecan-4-ol is a secondary alcohol that is undecane substituted by a hydroxy group at position 4. It has a role as a volatile oil component and a plant metabolite. It is an undecanol and a secondary alcohol.
Names & identifiers
- Preferred name
- 4-Undecanol
- IUPAC
- undecan-4-ol
- English name
- 4-Undecanol
- Molecular formula
- C11H24O
- Molecular weight
- 172.31
Names & synonyms
4-Undecanol4272-06-4Undecan4olnHeptyl npropyl carbinolRefChem:527087Undecan-4-olUndecanol-4MFCD000467244-hendecanolheptylpropylcarbinol4-hydroxyundecaneNSC158505
Show more names
4-UNDECANOL 99%
SCHEMBL379214SCHEMBL4959403SCHEMBL6435205SCHEMBL10903731SCHEMBL22472165CHEBI:195611DTXSID201366685EINECS 224-264-3
Database identifiers
- CAS
4272-06-4- PubChem CID
- 98971
- DTXSID
DTXSID201366685- ChEBI
CHEBI:195611- EC Number
- 224-264-3
- Nikkaji
- J112.109J
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 81.1
Experimental & physicochemical properties
PolymersOther Classes -> Alcohols and Polyols, Other
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 11.58 °C · 11.58°C (estimate)
- Boiling point
- 80 °C · 80 °C / 2mmHg
- Density
- 0.83 · 0.83
- refractive index
- 1.435 to · 1.4350 to 1.4370
- Flash point
- 66 °C · 66 °C
- form
- clear liquid
- color
- Colorless to Almost colorless
- InChI
- InChI=1S/C11H24O/c1-3-5-6-7-8-10-11(12)9-4-2/h11-12H,3-10H2,1-2H3
- InChIKey
- FNORHVDKJWGANC-UHFFFAOYSA-N
- SMILES
- CCCC(O)CCCCCCC
- LogP
- 4.249 · 4.249 (est)
- HS Code
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee 1-Decanol.
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- hs_code
- 2905.19.9090
Chemistry & industry
Suppliers24 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
江西瑞威尔生物科技有限公司18502728206 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Dalian Ruiying Technology Co., Ltd.+86-0411-86907150 +86-15940963210 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
许昌峰飞新材料科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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