Basic information
- CAS
7507-01-9- Standard SMILES
CCC(O)(c1ccc(O)cc1)C(O)(CC)c1ccc(O)cc1- InChIKey
MOGCNGHSEICQCE-UHFFFAOYSA-N- Molecular formula
- C18H22O4
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.15180918
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- 3,4-Bis(4-hydroxyphenyl)-3,4-hexanediol
- IUPAC
- 3,4-bis(4-hydroxyphenyl)hexane-3,4-diol
- English name
- 3,4-Bis(4-hydroxyphenyl)-3,4-hexanediol
- Molecular formula
- C18H22O4
- Molecular weight
- 302.36
Names & synonyms
3,4-Hexanediol, 3,4-bis(4-hydroxyphenyl)-7507-01-93,4-Bis(4-hydroxyphenyl)-3,4-hexanediolDTXSID30884395alpha,alpha-DihydroxydiethylstilbestrolRefChem:555071diethylstilbestrol vicinal diolDTXCID901023836231-363-53,4-Bis(4-hydroxyphenyl)hexane-3,4-diol3,4-Bis(p-hydroxyphenyl)-3,4-hexanediol.alpha.,.alpha.'-Dihydroxydiethylstilbestrol
Show more names
3,4-Hexanediol, 3,4-bis(p-hydroxyphenyl)-3, 3,4-bis(p-hydroxyphenyl)-3, 3,4-bis(4-hydroxyphenyl)-Oprea1_450873SCHEMBL561786NSC44070EINECS 231-363-5NSC 44070
Database identifiers
- CAS
7507-01-9- PubChem CID
- 94341
- DTXSID
DTXSID30884395- EC Number
- 231-363-5
- Nikkaji
- J23.061H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 311
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- 3 · 3,4-Hexanediol, 3,4-bis(4-hydroxyphenyl)- (7507-01-9)
- Symbol(GHS)
- 7 · GHS07,GHS09,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H400-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS09,GHS05
- Hazard statements
- H315-H318-H400-H335
- Precautionary statements
- P280-P305+P351+P338-P310-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3,4-Hexanediol, 3,4-bis(4-hydroxyphenyl)-: INACTIVE
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…