Basic information
- Standard SMILES
Oc1cccc2c(O)cccc12- InChIKey
BOKGTLAJQHTOKE-UHFFFAOYSA-N- Molecular formula
- C10H8O2
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.0524295
Overview
1,5-naphthalenediol has been reported in Sanicula lamelligera and Magnolia liliiflora with data available.
Names & identifiers
- Preferred name
- 1,5-Dihydroxynaphthalene
- IUPAC
- naphthalene-1,5-diol
- English name
- 1,5-Dihydroxy naphthalene
- Molecular formula
- C10H8O2
- Molecular weight
- 160.17
Names & synonyms
1,5-DIHYDROXYNAPHTHALENE83-56-71,5-NaphthalenediolDurafur Developer EOxidation BaseCI 76625C.I. 76625DTXSID2052574P25HC23VH6NSC-7202DTXCID9031147RefChem:73484
Show more names
c.i.76625oxidationbasedurafurdevelopere1,5-Naphthalindiol
201-487-4naphthalene-1,5-diol1,5-Dihydroxy naphthalene1,5-DihydroxynapthaleneMFCD000039801,5-dihydroxynaphtalene1.5-naphthalenediolBRN 2044951
Database identifiers
- CAS
83-56-7- PubChem CID
- 6749
- DTXSID
DTXSID2052574- ChEMBL
CHEMBL204658- UNII
- P25HC23VH6
- EC Number
- 201-487-4
- Nikkaji
- J70.174B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 140
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Naphthols
CosmeticsHair dyeing
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.82
SolubilitySolubility in water, g/100ml at 20 °C: 0.06
Flash Point
252 °C
252 °C c.c.
Decomposition250 °C
Vapor Pressure0.00000715 [mmHg]
Physical Description
Orange powder; [ICSC]
ORANGE POWDER.
Collision Cross Section
131.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2052574]
134.35 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
133.2 Ų [M-H]-
Physicochemical properties
- Melting point
- 259 · 259-261 °C (dec.) (lit.)
- Boiling point
- 246.06 °C · 246.06°C (rough estimate)
- Density
- 1.0924 · 1.0924 (rough estimate)
- vapor pressure
- 0 · 0-0Pa at 25℃
- refractive index
- 1.5418 · 1.5418 (estimate)
- Flash point
- 252 °C · 252°C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- 0.6 g/l · 0.6g/l
- pka
- 9.28 · 9.28±0.40(Predicted)
- form
- Solid
- color
- Pale Beige to Very Dark Brown
- PH
- 6 · 6 (0.5g/l, H2O, 20℃)
- Water Solubility
- Soluble in water.
- BRN
- 2044951 · 2044951
- Cosmetics Ingredients Functions
- HAIR DYEING
- InChI
- 1S/C10H8O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H
- InChIKey
- BOKGTLAJQHTOKE-UHFFFAOYSA-N
- SMILES
- Oc1cccc2c(O)cccc12
- LogP
- 1.7 · 1.7-1.82 at 23℃
- CAS DataBase Reference
- 83 · 83-56-7(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1-3
- FDA UNII
- 25 HC23VH6 · P25HC23VH6
- NIST Chemistry Reference
- 1 · 1,5-Naphthalenediol(83-56-7)
- EPA Substance Registry System
- 1 · 1,5-Naphthalenediol (83-56-7)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,N,Xi
- Risk Statements
- 22 · 22-51/53-36-36/37/38
- Safety Statements
- 22 · 22-24/25-61-39-29-26
- WGK Germany
- 2 · 2
- RTECS
- 4740000 · QJ4740000
- F
- 8 · 8-21
- TSCA
- TSCA listed
- HS Code
- 29072900 · 29072900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Eye · Aquatic Chronic 2Eye Irrit. 2Skin Sens. 1B
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.7% (1 of 153) of reports.
Warning
H302 (77.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 153 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Hazard information
Regulatory Information
Chemical: 1,5-Naphthalenediol
Status: Active Update: 25-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27320
1,5-Naphthalenediol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1,5-Naphthalenediol: Human health tier II assessment
Fire HazardsCombustible.
Hazards SummaryA mild eye irritant; [ICSC] A skin and eye irritant; May be harmful if ingested; [MSDSonline] See 1-Napththol and 2-Naphthol. See 2,7-Naphthalenediol.
Chemical DangersOn combustion, forms toxic fumes. Reacts with strong oxidants.
Hazard Classes and Categories
Acute Tox. 4 (77.8%)
Acute toxicity - category 4
Safety & protection
Fire FightingUse water spray, powder.
First Aid Measures
Fresh air, rest.
Rinse and then wash skin with water and soap.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Rinse mouth.
Safe StorageSeparated from strong oxidants.
Spillage DisposalPersonal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting.
Eye PreventionWear safety goggles.
Fire PreventionNO open flames.
Skin PreventionProtective gloves.
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse local exhaust or breathing protection.
Effects of Short Term ExposureThe substance is mildly irritating to the eyes.
Toxicology
Exposure RoutesThe substance can be absorbed into the body by ingestion.
Signs and SymptomsRedness.
Safety data
- F
- 8-21
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- QJ4740000
- hs_code
- 29072900
- risk_code
- 22-51/53-36-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,N,Xi
- safety_code
- 22-24/25-61-39-29-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Chronic 2Eye Irrit. 2Skin Sens. 1B
- Precautionary statements
- P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Chemistry & industry
Uses & manufacturing
UsesUsed to make dyes; [Hawley]
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information1,5-Naphthalenediol: ACTIVE
Applications
Uses1,5-Dihydroxynaphthalene is an intermediate of synthetic mordant azo dyes. It is an intermediate used in organic synthesis, pharmaceuticals, dyestuff fields and photograph industry. It is used as a coupling component in azo dyes as exemplified in the metallizable (Cr) wool dye, C.I. Mordant Black 9.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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Related reactions
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