Encyclopedia
EN
ZH
EN
Sign in
|
Join Free
Category
Organic Intermediates
Pharmaceuticals and Biochemicals
Basic Organic Chemicals
Agrochemicals
Inorganic Chemicals
Catalyst and Auxiliary
Custom Manufacturing
Food & Feed Additives
Daily Chemicals
Dyestuffs and Pigments
Laboratory Chemicals
Adhesives and Sealants
Flavour & Fragrance
Paint and Coatings
Polymer
Metals and Minerals
Encyclopedia
Chemicals Encyclopedia
Cosmetic Ingredients
Dictionary
English
Deutsch
Français
Español
日本語
한국어
Supplier
Buyer Request
TradeShow
FAQs
Structure Search
About Us
Encyclopedia
4,4'-methanediylbis[2-(hydroxymethyl)-6-methylphenol]
CAS:
6641-13-0
MW:
288.343
MF:
C17H20O4
 
Email
 
Tweet
 
Share
Names and ldentifier
Msds
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
4,4'-methanediylbis[2-(hydroxymethyl)-6-methylphenol]
1.2 Synonyms
4-(4-hydroxy-3-(hydroxymethyl)-5-methylbenzyl)-2-(hydroxymethyl)-6-methylphenol; 4,4'-methylene bis(2-methyl-6-hydroxymethylphenol); 4,4'-methylenebis[2-(hydroxymethyl)-6-methylphenol]; 4-[[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl]-2-(hy; 4-[[4-hydroxy-3-(hydroxymethyl)-5-methyl-phenyl]methyl]-2-(hydroxymethyl)-6-methyl-phenol; 4-[[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl]-2-(hydroxymethyl)-6-methylphenol; AC1L66V5; AC1Q7C6M; AKOS030547865; bdbm50200090; benzenemethanol, 3,3'-methylenebis[6-hydroxy-5-methyl-; CHEMBL218958; CTK2F6148; DOMBBFBDIIXIKP-UHFFFAOYSA-N; DTXSID60286964; HMS3089G23; mls002667186; nsc48435; smr001556958; ZINC1679790;
View all
1.3 CAS No.
6641-13-0
1.4 CID
241211
1.5 Molecular Formula
C17H20O4
1.6 Inchi
InChI=1S/C17H20O4/c1-10-3-12(6-14(8-18)16(10)20)5-13-4-11(2)17(21)15(7-13)9-19/h3-4,6-7,18-21H,5,8-9H2,1-2H3
1.7 InChkey
DOMBBFBDIIXIKP-UHFFFAOYSA-N
1.8 Canonical Smiles
CC1=CC(=CC(=C1O)CO)CC2=CC(=C(C(=C2)C)O)CO
1.9 Isomers Smiles
CC1=CC(=CC(=C1O)CO)CC2=CC(=C(C(=C2)C)O)CO
2. MSDS
2.
Hazard identification
2.1
Classification of the substance or mixture
no data available
2.2
GHS label elements, including precautionary statements
Pictogram(s)
no data available
Signal word
no data available
Hazard statement(s)
no data available
Precautionary statement(s)
Prevention
no data available
Response
no data available
Storage
no data available
Disposal
no data available
2.3
Other hazards which do not result in classification
no data available
View all
3. Synthesis Route
6641-13-0
Total: 9 Synthesis Route
95-48-7
135 Suppliers
6641-13-0
7451-94-7
6641-13-0
View all
4. Precursor and Product
precursor:
2467-25-6
22470-99-1
7451-94-7
50-00-0
7732-18-5
95-48-7
product:
527-60-6
247172-40-3
576-26-1
5. Computed Properties
Molecular Weight:
288.343g/mol
Molecular Formula:
C
17
H
20
O
4
Compound Is Canonicalized:
True
Exact Mass:
3.2
XLogP3-AA:
288.13615911
Monoisotopic Mass:
288.13615911
Complexity:
292
Rotatable Bond Count:
4
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
4
Topological Polar Surface Area:
80.9
Heavy Atom Count::
21
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Isotope Atom Count:
0
Covalently-Bonded Unit Count:
1
CACTVS Substructure Key Fingerprint:
AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgAACAAADASgmAIyBoAAAgCAAiBCAAACAAAgIAAAiAAECIgINyKCERKAcAAlwBEImAeAwOAOIAACAAAIAABAAAQAABAAAAAAAAAAAA==
6. Realated Product Infomation
2-(Hydroxymethyl)-3-methylphenol
cas:29922-52-9
3-(hydroxyMethyl)-4-Methylphenol
cas:1261454-85-6
3-(hydroxymethyl)-2-methylphenol
cas:54874-26-9
2-(Hydroxymethyl)-4-iodo-6-methylphenol
cas:1787916-18-0
2-(hydroxyMethyl)-6-Methoxy-4-Methylphenol
cas:7452-08-6
2-methylphenol
cas:155174-21-3
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2.
Msds
3.
Synthesis Route
4.
Precursor and Product
5.
Computational chemical data
6.
Realated Product Infomation
Cancel
CAS
Products
Suppliers
Popular Searches
Request For Quotation