Basic information
- Standard SMILES
OC[C@H]1O[C@@H](OC/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
KHPCPRHQVVSZAH-GUNCLKARSA-N- Molecular formula
- C15H20O6
- Average molar mass
- 296.31 g/mol
- Monoisotopic mass
- 296.12598836
Overview
rosin X has been reported in Rhodiola crenulata, Rhodiola sachalinensis, and other organisms with data available.
Names & identifiers
- Preferred name
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol
- IUPAC
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol
- English name
- Rosin
- Molecular formula
- C15H20O6
- Molecular weight
- 296.32
Names & synonyms
Show more names
Database identifiers
- CAS
85026-55-7- PubChem CID
- 5280656
- DTXSID
DTXSID60904535- ChEMBL
CHEMBL4175856- UNII
- SVS3GU8AY8
- EC Number
- 875-664-5
- Nikkaji
- J2.573.236G、J430.836K
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Melting point
- 75 · 75-81 °C
- Boiling point
- 542.4 · 542.4±50.0 °C(Predicted)
- Density
- 1.36 · 1.36
- Flash point
- 180 °C · 180 °C
- storage temp.
- 2 · 2-8°C
- solubility
- 0.1 g/mL, · chloroform: 0.1 g/mL, clear, strongly yellow
- pka
- 12.91 · 12.91±0.70(Predicted)
- form
- powder
- color
- White-yellowish
- Dielectric constant
- 2.5 · 2.5(Ambient)
- Major Application
- metabolomicsvitamins, nutraceuticals, and natural products
- InChI
- InChI=1/C15H20O6/c16-9-11-12(17)13(18)14(19)15(21-11)20-8-4-7-10-5-2-1-3-6-10/h1-7,11-19H,8-9H2/b7-4+/t11-,12-,13+,14-,15-/s3
- InChIKey
- KHPCPRHQVVSZAH-RHAOKAAZNA-N
- SMILES
- O([C@H]1[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)C/C=C/C1C=CC=CC=1 |&1:1,2,3,5,7,r|
- CAS DataBase Reference
- 85026 · 85026-55-7
- FDA UNII
- 3 GU8AY8 · SVS3GU8AY8
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 24 · 24-37
- WGK Germany
- 1 · 1
- RTECS
- 480000 · VL0480000
- F
- 10 · 10-21
- HS Code
- 38061010 · 38061010
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
Hazard information
Safety data
- F
- 10-21
- wgk
- 1
- rtecs
- VL0480000
- hs_code
- 38061010
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24-37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501
Chemistry & industry
Applications
DescriptionRosin is a light yellow to reddish brown, transparent, vitreous substance with a thermoplastic nature.
UsesRosin is mainly used in the manufacture of soaps, paints, adhesives, and soldering fluxes.In the pharmaceutical industry, rosin is a raw material for several creams and ointments.Rosin is used in a variety of applications for its ability to increase friction.
General DescriptionRosin, formerly called colophony, is a solid form of resin obtained from several pine trees extensively found in Asia, Europe and North America and to a lesser extent from other conifers conifers. It is prepared by cutting a long slice in the tree to allow exudation and to collect the liquid resin in containers. Afterwards the liquid resin is steam heated to remove volatile terpene and turpentine and leaving gum rosin as residue. It is semi-transparent and varies in color from yellow to black. It chiefly consists of different organic acids, among those abietic acid (C19H29COOH) is the most important. Rosin is a brittle and friable resin, with a faint piney odor; the melting-point varies with different specimens, some being semi-fluid at the temperature of boiling water, while others melt between 100°C to 120°C. It is very flammable, burning with a smoky flame. It is soluble in alcohol, ether, benzene and chloroform. Rosin combines with caustic alkalis to yield salts called rosinates or pinates that are known as rosin soaps. In addition to its extensive use in soap making, rosin is largely employed in making inferior varnishes, sealing-wax and various adhesives.
Suppliers50 total
Related reactions
Linked notes
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