CAS 6153-39-5 Resorcinol, 5-methyl-, monohydrate (HCID 3083941)

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Basic information

CAS: 6153-39-5
Standard SMILES: Cc1cc(O)cc(O)c1.O
InChIKey: NBKPNAMTHBIMLA-UHFFFAOYSA-N
Molecular formula: C7H10O3
Average molar mass: 142.15 g/mol
Monoisotopic mass: 142.06299418

Overview

See also: 1,3-Benzenediol, 5-methyl, monohydrate (annotation moved to); 3,5-Dihydroxy-1-methylbenzene (annotation moved to).

Names & identifiers

Preferred name: Resorcinol, 5-methyl-, monohydrate
IUPAC: 5-methylbenzene-1,3-diol;hydrate
English name: Orcinol monohydrate
Molecular formula: C7H10O3
Molecular weight: 142.15

Names & synonyms

Orcinol monohydrate5-Methylresorcinol monohydrate1,3-Benzenediol, 5-methyl-, monohydrateResorcinol, 5-methyl-, monohydrateDTXSID60210522RefChem:8794665Methylresorcinol monohydrate3,5Dihydroxytoluene monohydrateResorcinol, 5methyl, monohydrateDTXCID901330136153-39-55-methylbenzene-1,3-diol hydrate

Show more names

ORCINEORCINOMoss Black DoveORCIN MONOHYDRATEORCINOL extrapureORCINE MONOHYDRATERicin in one water3,5-Orcinol monohydrate5-Methylresorcinol

3,5-DIHYDROXYTOLUENE MONOHYDRATE5-methylbenzene-1,3-diol;hydrateMFCD001490925-methylresorcinol hydrateSCHEMBL2367405-Methylresorcinol, monohydrateOrcinol Monohydrate;Orcinol monohydrate, p.a., 99.0%

Database identifiers

CAS: 6153-39-5

Properties

Computed structural properties

Topological polar surface area: 41.5 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 82.9

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Phenols

Physical DescriptionSolid that reddens on exposure to air; [Merck Index] Crystalline solid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 56 · 56-61 °C
Boiling point: 290 °C · 290 °C
Density: 1.29 · 1.29
Flash point: 147 °C/5mm · 147°C/5mm
storage temp.: room temp
solubility: 2 O: · H2O: soluble50mg/mL
form: Powder, Crystals or Flakes
color: off-white to tan
biological source: synthetic
Water Solubility: SOLUBLE
Sensitive: Air Sensitive
Merck: 14 · 14,6864
BRN

Safety & regulation

Hazard information

Regulatory InformationResorcinol, 5-methyl-, monohydrate: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See Orcinol.

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: Yes
rtecs: VH2100000
hs_code: 29072100
risk_code: 36/37/38-22-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 37/39-26-36
Storage Class: 11 - Combustible Solids
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

Uses & manufacturing

UsesFound in many lichen species; Used as a reagent for pentoses, lignin, beet sugar, saccharoses, arabinose, and diastase; [Merck Index]

Applications · 5 items

DescriptionA pyranoquinolone alkaloid found in Oricia suaveolens, this base does not form salts with mineral acids. The structure has been established by synthesis as 6:7- dimethoxy-N-methylflindersine.

UsesReagent for sugars.

Uses5-Methylbenzene-1,3-diol Hydrate is the hydrated form of 3,5-Dihydroxytoluene(D454760); 3,5-Dihydroxytoluene is found in lichen fungi and can improve functional properties of lysozyme.

UsesOrcinol monohydrate is usually used to prepare colorimetric reagents for the determination of RNA, DNA,and hexoses.

General DescriptionOrcinol is a small-molecule natural phenol involved in the production of a dye called orcein used for the staining of cells and chromosomes. Orcinol monohydrate is usually used to prepare a colorimetric reagent known as Bial′s reagent for the determination of RNA, DNA, and hexoses.