Basic information
- CAS
23356-96-9- Standard SMILES
OC[C@@H]1CCCN1- InChIKey
HVVNJUAVDAZWCB-YFKPBYRVSA-N- Molecular formula
- C5H11NO
- Average molar mass
- 101.15 g/mol
Names & identifiers
- Preferred name
- L-Prolinol
- IUPAC
- [(2S)-pyrrolidin-2-yl]methanol
- English name
- L-(+)-Prolinol
- Molecular formula
- C5H11NO
- Molecular weight
- 101.15
Names & synonyms
L-Prolinol23356-96-9Prolinol, (S)-L5GD8LDG49RefChem:202731L-(+)-Prolinol(S)-PYRROLIDIN-2-YLMETHANOL(S)-(+)-2-(Hydroxymethyl)pyrrolidine[(2S)-pyrrolidin-2-yl]methanol(S)-(+)-Prolinol(S)-PROLINOL(2S)-pyrrolidin-2-ylmethanol
Show more names
H-PRO-OLS-2-PYRROLIDINEMETHANOLL-2-PYRROLIDINEMETHANOLPro-OL
(S)-(+)-2-Pyrrolidinemethanol(2S)-2-PYRROLIDINEMETHANOLMFCD000052552-PYRROLIDINEMETHANOL, (2S)-(S)-2-PYRROLIDINEMETHANOLAvanafil Impurity 25(S)-1-pyrrolidin-2-yl-methanol(+)-2-PYRROLIDINEMETHANOL
Database identifiers
- CAS
23356-96-9- PubChem CID
- 640091
- ChEMBL
CHEMBL1916080- UNII
- L5GD8LDG49
- EC Number
- 245-605-2
- Nikkaji
- J9.290H
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 56
Physicochemical properties
- Melting point
- 42 · 42-44℃
- alpha
- 31 · 31 º ((c=1,Toluene))
- Boiling point
- 74 · 74-76 °C2 mm Hg(lit.)
- Density
- 1.036 g/mL · 1.036 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.4853(lit.)
- Flash point
- 187 °F · 187 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform
- pka
- 14.77 · 14.77±0.10(Predicted)
- form
- Liquid
- Specific Gravity
- 1.025 · 1.025
- color
- Clear colorless to pale yellow
- optical activity
- 20 · [α]20/D +31°, c = 1 in toluene
- Water Solubility
- Fully miscible in water. Soluble in chloroform.
- Sensitive
- Air Sensitive
- BRN
- 79843 · 79843
- InChI
- 1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m0/s1
- InChIKey
- HVVNJUAVDAZWCB-YFKPBYRVSA-N
- SMILES
- OC[C@@H]1CCCN1
- CAS DataBase Reference
- 23356 · 23356-96-9(CAS DataBase Reference)
- FDA UNII
- 5 GD8LDG49 · L5GD8LDG49
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H227
- Precautionary statements
- 210 e-P280a-P501a-P261-P305+P351+P338-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501 · P210e-P280a-P501a-P261-P305+P351+P338-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- F
- 3 · 3-10-23
- Hazard Note
- Irritant/Air Sensitive
- HS Code
- 29221990 · 29221990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (94.7%): 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 57 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 11-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18329
Hazard Classes and CategoriesSkin Irrit. 2 (94.7%)
Safety data
- F
- 3-10-23
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29221990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Air Sensitive
- safety_code
- 26-36-37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335-H227
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1STOT SE 3
- Precautionary statements
- P210e-P280a-P501a-P261-P305+P351+P338-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
Chemistry & industry
Applications
Usesrac-Prolinol is an intermediate in the synthesis of Physostigmine and Physostigmine derivative used for treatment of Alzheimer''s disease.
UsesL-Prolinol is an intermediate in the synthesis of Physostigmine and Physostigmine derivative used for treatment of Alzheimer's disease.
Upstream & downstream products
Downstream products
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Related reactions
207 records
Compound notes
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