Hydroxybenzomorpholine
Basic information
- CAS
26021-57-8- Standard SMILES
Oc1ccc2c(c1)NCCO2- InChIKey
HWWIVWKTKZAORO-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Names & identifiers
- Preferred name
- Hydroxybenzomorpholine
- IUPAC
- 3,4-dihydro-2H-1,4-benzoxazin-6-ol
- English name
- 3,4-dihydro-2H-1,4-benzoxazin-6-ol
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16
Names & synonyms
26021-57-83,4-Dihydro-2H-1,4-benzoxazin-6-olHydroxybenzomorpholine6-Hydroxybenzomorpholine2H-1,4-Benzoxazin-6-ol, 3,4-dihydro-77OXT3492AEINECS 247-415-5DTXSID20180671HYDROXYBENZOMORPHOLINE [INCI]3,4-DIHYDRO-2H-BENZO-(B)(1,4)OXAZIN-6-OL3,4-DIHYDRO-6-HYDROXY-1,4(2H)-BENZOXAZINERefChem:789446
Show more names
3,4-Dihyd2H-benzo[b][1,4]oxazin-6-ol3,4-Dihydro-2H-benzo[1,4]oxazin-6-ol
DTXCID60103162247-415-53,4-Dihydro-2H-benzo[b][1,4]oxazin-6-olMFCD00600394UNII-77OXT3492ABAS 02083762Oprea1_132826Oprea1_760613
Database identifiers
- CAS
26021-57-8- PubChem CID
- 117709
- DTXSID
DTXSID20180671- UNII
- 77OXT3492A
- EC Number
- 247-415-5
- Nikkaji
- J308.375F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Hydroxybenzomorpholine) -> CIR (Cosmetic Ingredient Review)
Hair dyeing
Physicochemical properties
- Boiling point
- 334.7 · 334.7±42.0 °C(Predicted)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- vapor pressure
- 0.002 Pa · 0.002Pa at 20℃
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Chloroform (Slightly, Heated, Sonicated), DMSO (Sparingly), Methanol (Slightly)
- form
- Solid
- pka
- 10.85 · 10.85±0.20(Predicted)
- color
- Black
- Water Solubility
- 19 g/L · 19g/L at 20℃
- Stability
- Hygroscopic
- Cosmetics Ingredients Functions
- HAIR DYEING
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 14 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2H-1,4-Benzoxazin-6-ol, 3,4-dihydro-
REACH registered substance: 3,4-dihydro-2H-1,4-benzoxazin-6-ol (EC: 247-415-5)
Other Safety InformationIMAP assessments - 2H-1,4-Benzoxazin-6-ol, 3,4-dihydro-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- REACH Registrations
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Hydroxybenzomorpholine
Use ClassificationCosmetics -> Hair dyeing
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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