3,5-Dimethoxybenzyl alcohol

HCID 69718CAS 705-76-0
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(CO)cc(OC)c1
InChIKey
AUDBREYGQOXIFT-UHFFFAOYSA-N
Molecular formula
C9H12O3
Average molar mass
168.19 g/mol
Monoisotopic mass
168.07864424

Names & identifiers

Preferred name
3,5-Dimethoxybenzyl alcohol
IUPAC
(3,5-dimethoxyphenyl)methanol
English name
3,5-Dimethoxybenzyl alcohol
Molecular formula
C9H12O3
Molecular weight
168.19

Names & synonyms

3,5-Dimethoxybenzyl alcohol705-76-03,5-DimethoxybenzenemethanolEINECS 211-888-6DTXSID80220769RefChem:486898DTXCID60143260211-888-6(3,5-Dimethoxyphenyl)methanol3,5-DimethoxybenzylalcoholBenzenemethanol, 3,5-dimethoxy-MFCD00004641
Show more names
3,5-DimethoxybenzylRARECHEM AL BD 00653,5-DIMETHOXYBENZYL ALCOHOLE3,5-dimethoxybenzenemethylol3,5-DimethoxybenzylAlcohol>3,5-Dimethoxybenzyl alcohol 99%
AS039753,5-Dimethoxybenzenemethanol;3,5-Dimethoxy Benzyl Alcohol(3,5-dimethoxyphenyl)methan-1-ol3,5-dimethoxy-benzylalcohol3,5-Dimethoxy benzylalcoholTEY3289PFVSCHEMBL65276

Database identifiers

CAS
705-76-0
PubChem CID
69718
DTXSID
DTXSID80220769
UNII
TEY3289PFV
EC Number
211-888-6
Nikkaji
J149.883E

Properties

Computed structural properties

XLogP
1
Topological polar surface area
38.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
12

Physicochemical properties

Melting point
43 · 43-46 °C(lit.)
Boiling point
183 · 183-186°C 20mm
Density
1.1322 · 1.1322 (rough estimate)
refractive index
1.547 · 1.5470 (estimate)
Flash point
230 °F · >230 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29094990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 4 items

Description3,5-Dimethoxybenzyl alcohol (L1 OH) is an important pharmaceutical intermediate and also the starting material for the family of dendritic polymers LnOH (the integer n indicates the number of ‘branching’ layers). 3,5-Dimethoxybenzyl alcohol can be used as an organic synthesis raw material to prepare compounds such as 3,5-Dimethoxybenzonitrile, 3-hydroxy-5-methoxybenzaldehyde, and 5,7-Dimethoxyindan-1-one.

Uses3,5-Dimethoxybenzyl alcohol was used as starting material for the synthesis of dendrimeric compounds.

Uses3,5-Dimethoxybenzyl Alcohol is used in the synthesis of Resveratrol (R150000).

General Description3,5-Dimethoxybenzyl alcohol is an important pharmaceutical intermediate.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

Related reactions

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Linked notes

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