9-Mercapto-1-nonanol
Basic information
- CAS
131215-92-4- Standard SMILES
OCCCCCCCCCS- InChIKey
FXFJFNVBVKPAPL-UHFFFAOYSA-N- Molecular formula
- C9H20OS
- Average molar mass
- 176.32 g/mol
- Monoisotopic mass
- 176.12348643
Names & identifiers
- Preferred name
- 9-Mercapto-1-nonanol
- IUPAC
- 9-sulfanylnonan-1-ol
- English name
- 9-Mercapto-nonan-1-ol
- Molecular formula
- C9H20OS
- Molecular weight
- 176.32
Names & synonyms
9-MERCAPTO-1-NONANOLRefChem:549419626-136-6131215-92-49-SULFANYLNONAN-1-OL1-Nonanol, 9-mercapto-9-Mercapto-nonan-1-olMFCD110448669-mercaptononanolSCHEMBL6242459-Mercapto-1-nonanol, 96%DTXSID80673074
Show more names
9-Mercapto-1-nonanol 96%9-Mercapto-1-nonanol,9-Mercapto-nonan-1-ol
AKOS040768923FM171971G81055F865590
Database identifiers
- CAS
131215-92-4- PubChem CID
- 46201499
- DTXSID
DTXSID80673074- EC Number
- 626-136-6
- Nikkaji
- J1.327.652H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 21.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 66.6
Physicochemical properties
- Boiling point
- 269.6 · 269.6±13.0 °C(Predicted)
- Density
- 0.939 g/mL · 0.939 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.483
- Flash point
- 110 °C · 110 °C
- pka
- 10.49 · 10.49±0.10(Predicted)
- form
- liquid
- InChI
- InChI=1S/C9H20OS/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2
- InChIKey
- FXFJFNVBVKPAPL-UHFFFAOYSA-N
- SMILES
- C(O)CCCCCCCCS
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
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 Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3334
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses9-MNL can be used in the surface modification of gold electrodes for the fabrication of biosensors for biomedical applications.
General Description9-Mercapto-1-nonanol (9-MNL) is an alkanethiol that forms a self-assembled monolayer (SAM) on a variety of substrates. It facilitates the immobilization of the surface atoms.
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
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Compound notes
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