3-Hydroxy-1H-phenalen-1-one

Modify Date: 2025-08-25 13:02:21

3-Hydroxy-1H-phenalen-1-one Structure
3-Hydroxy-1H-phenalen-1-one structure
Common Name 3-Hydroxy-1H-phenalen-1-one
CAS Number 5472-84-4 Molecular Weight 196.201
Density 1.4±0.1 g/cm3 Boiling Point 407.3±45.0 °C at 760 mmHg
Molecular Formula C13H8O2 Melting Point 264ºC(lit.)
MSDS N/A Flash Point 173.9±21.3 °C

 Names

Name 3-hydroxyphenalen-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 407.3±45.0 °C at 760 mmHg
Melting Point 264ºC(lit.)
Molecular Formula C13H8O2
Molecular Weight 196.201
Flash Point 173.9±21.3 °C
Exact Mass 196.052429
PSA 37.30000
LogP 3.21
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.779
InChIKey DXBYIIARRIMNFJ-UHFFFAOYSA-N
SMILES O=C1C=C(O)c2cccc3cccc1c23

 MSDS

Name: 3-Hydroxy-1H-phenalen-1-one 98% Material Safety Data Sheet
Synonym: None Known
CAS: 5472-84-4
Section 1 - Chemical Product MSDS Name:3-Hydroxy-1H-phenalen-1-one 98% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
5472-84-4 3-Hydroxy-1H-phenalen-1-one 98% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 5472-84-4: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: yellow - green
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 261-264 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C13H8O2
Molecular Weight: 196.21

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not currently available.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 5472-84-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Hydroxy-1H-phenalen-1-one - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 5472-84-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5472-84-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5472-84-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xi
Risk Phrases 36/37/38
Safety Phrases 26-36
HS Code 2914400090

 Synthetic Route

~%

3-Hydroxy-1H-phenalen-1-one Structure

3-Hydroxy-1H-ph...

CAS#:5472-84-4

Literature: Gazzetta Chimica Italiana, , vol. 41 I, p. 191

~%

3-Hydroxy-1H-phenalen-1-one Structure

3-Hydroxy-1H-ph...

CAS#:5472-84-4

Literature: Journal of the American Chemical Society, , vol. 73, p. 1230

~%

3-Hydroxy-1H-phenalen-1-one Structure

3-Hydroxy-1H-ph...

CAS#:5472-84-4

Literature: Chemische Berichte, , vol. 71, p. 1102,1114

~%

3-Hydroxy-1H-phenalen-1-one Structure

3-Hydroxy-1H-ph...

CAS#:5472-84-4

Literature: DE753210 , ; DRP/DRBP Org.Chem.

~%

3-Hydroxy-1H-phenalen-1-one Structure

3-Hydroxy-1H-ph...

CAS#:5472-84-4

Literature: Chemische Berichte, , vol. 102, # 6 p. 1988 - 2002

~%

3-Hydroxy-1H-phenalen-1-one Structure

3-Hydroxy-1H-ph...

CAS#:5472-84-4

Literature: DE283365 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 12, p. 496 Chemische Berichte, , vol. 55, p. 3289

~%

3-Hydroxy-1H-phenalen-1-one Structure

3-Hydroxy-1H-ph...

CAS#:5472-84-4

Literature: Chemische Berichte, , vol. 102, # 6 p. 1988 - 2002

~%

3-Hydroxy-1H-phenalen-1-one Structure

3-Hydroxy-1H-ph...

CAS#:5472-84-4

Literature: Chemische Berichte, , vol. 101, # 6 p. 2162 - 2175

~%

3-Hydroxy-1H-phenalen-1-one Structure

3-Hydroxy-1H-ph...

CAS#:5472-84-4

Literature: Chemische Berichte, , vol. 55, p. 3289

 Customs

HS Code 2914400090
Summary 2914400090 other ketone-alcohols and ketone-aldehydes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

 3-Hydroxy-1H-phenalen-1-oneBioassay

View more

Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
Name: qHTS of TDP-43 Inhibitors: NCGC Sytravon Library Screen
Source: NCGC
External Id: tdp43-p2-repeat
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 Synonyms

4-hydroxy-1H-phenalen-1-one
3-hydroxy-phenalen-1-one
3-Hydroxy-phenalen-1-on
3-Hydroxy-1H-phenalen-1-one
3-hydroxy-1H-phenalene-1-one
3-hydroxyperinaphthenone
MFCD00029247
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