Basic information
- CAS
3663-82-9- Standard SMILES
OCC1COc2ccccc2O1- InChIKey
GWQOQQVKVOOHTI-UHFFFAOYSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Names & identifiers
- Preferred name
- 1,4-Benzodioxane-2-methanol
- IUPAC
- 2,3-dihydro-1,4-benzodioxin-3-ylmethanol
- English name
- 2-Hydroxymethyl-1,4-benzodioxane
- Molecular formula
- C9H10O3
- Molecular weight
- 166.17
Names & synonyms
1,4-Benzodioxane-2-methanol1,4-Benzodioxin-2-methanol, 2,3-dihydro-RefChem:416359222-921-93663-82-92-Hydroxymethyl-1,4-benzodioxane(2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methanol(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-methanol1,4-BENZODIOXAN-2-METHANOL2-Hydroxymethyl-1,4-benzodioxan2,3-Dihydro-1,4-benzodioxin-2-ylmethanol2,3-dihydro-1,4-benzodioxin-3-ylmethanol
Show more names
AKOS 276TIMTEC-BB SBB003893(1,4-Benzodioxan-2-yl)methanol2-O,3-O-(1,2-Phenylene)glycerol2-Hydroxymethyl-1,4-benzodioxan,98%2-Hydroxymethyl-1,4-benzodioxane>
MFCD00006822(2,3-dihydro-1,4-benzodioxin-2-yl)methanolNSC 515022,3-Dihydro-1,4-benzodioxin-2-methanolNSC-1880NSC-36118NSC1880NSC36118
Database identifiers
- CAS
3663-82-9- PubChem CID
- 19314
- DTXSID
DTXSID101283793- UNII
- SVU3C427GP
- EC Number
- 222-921-9
- Nikkaji
- J71.430E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 87 · 87-90 °C(lit.)
- Boiling point
- 286 °C · 286 °C
- Density
- 1.213 · 1.213
- refractive index
- 1.55 · 1.5500 (estimate)
- Flash point
- 124 ℃ · 124℃
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 13.98 · 13.98±0.10(Predicted)
- form
- powder to crystal
- color
- White to Light yellow to Light orange
- BRN
- 83736 · 83736
- InChI
- 1S/C9H10O3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7,10H,5-6H2
- InChIKey
- GWQOQQVKVOOHTI-UHFFFAOYSA-N
- SMILES
- OCC1COc2ccccc2O1
- CAS DataBase Reference
- 3663 · 3663-82-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- UNSPSC Code
- 12352100 · 12352100
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+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1,4-Benzodioxin-2-methanol, 2,3-dihydro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- DF3660000
- hs_code
- 29329990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-Hydroxymethyl-1,4-benzodioxane is a substituted benzodioxane with antihepatotoxic activity. 2-Hydroxymethyl-1,4-benzodioxane is used as an intermediate in the preparation of Guanoxan (G839500).
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers65 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
临沂锎源化学科技有限公司13188735557 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Related reactions
35 records
Compound notes
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