Basic information
- CAS
31952-16-6- Standard SMILES
OCC(CO)(Cc1ccccc1)Cc1ccccc1- InChIKey
AZLRECYOMFCGTK-UHFFFAOYSA-N- Molecular formula
- C17H20O2
- Average molar mass
- 256.34 g/mol
- Monoisotopic mass
- 256.14632988
Names & identifiers
- Preferred name
- 2,2-Dibenzyl-1,3-propanediol
- IUPAC
- 2,2-dibenzylpropane-1,3-diol
- English name
- 2,2-Dibenzyl-1,3-propanediol
- Molecular formula
- C17H20O2
- Molecular weight
- 256.34
Names & synonyms
31952-16-62,2-Dibenzyl-1,3-propanediolDTXSID50454377RefChem:243080DTXCID40405196625-818-02,2-dibenzylpropane-1,3-diolMFCD011121732,2-dibenzyl-1,3-propandiolorb3143841SCHEMBL2489390AZLRECYOMFCGTK-UHFFFAOYSA-N
Show more names
2,2-Dibenzyl-1,3-propanediol >=97.0%2,2-Bis(phenylmethyl)-1,3,propanediol1,3-Propanediol,2,2-bis(phenylmethyl)-
TYD-03179AKOS016034716BS-16500SY316894DB-3129642,2-Dibenzyl-1,3-propanediol, >=97.0%CS-0137260F464594
Database identifiers
- CAS
31952-16-6- PubChem CID
- 11076067
- DTXSID
DTXSID50454377- EC Number
- 625-818-0
- Nikkaji
- J1.667.829E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 84 · 84-88 °C
- Boiling point
- 442.1 · 442.1±40.0 °C(Predicted)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 14.45 · 14.45±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- 1S/C17H20O2/c18-13-17(14-19,11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,18-19H,11-14H2
- InChIKey
- AZLRECYOMFCGTK-UHFFFAOYSA-N
- SMILES
- OCC(CO)(Cc1ccccc1)Cc2ccccc2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
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
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- risk_code
- 36
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H318
- Hazard Classifications
- Eye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers34 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
西安久启生物科技有限公司18729366352 13186100227 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
江苏药恒医药科技有限公司13524761129 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
北京阳光福润科技有限公司010-57495520 13521095525 · [email protected]
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
Related reactions
2 records
Compound notes
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