2,4-Dimethoxybenzyl alcohol

HCID 81750
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Basic information

CAS
7314-44-5
Standard SMILES
COc1ccc(CO)c(OC)c1
InChIKey
RNKOUSCCPHSCFE-UHFFFAOYSA-N
Molecular formula
C9H12O3
Average molar mass
168.19 g/mol
Monoisotopic mass
168.07864424

Names & identifiers

Preferred name
2,4-Dimethoxybenzyl alcohol
IUPAC
(2,4-dimethoxyphenyl)methanol
English name
2,4-Dimethoxybenzyl alcohol
Molecular formula
C9H12O3
Molecular weight
168.19

Names & synonyms

2,4-Dimethoxybenzyl alcohol7314-44-5Benzenemethanol, 2,4-dimethoxy-5SV9LUD373DTXSID40223397RefChem:443698DTXCID40145888230-775-2(2,4-Dimethoxyphenyl)methanolMFCD000046142,4-dimethoxyphenylmethanol1-hydroxymethyl-2,4-dimethoxybenzene
Show more names
2,4-DimethoxybenzylAI3-52354RARECHEM AL BD 00252,4-dimethoxybenzylol2,4-Dimethoxybenzyl Alcohol >Benzenemethanol, 2,4-dimethoxy-2,4-Dimethoxybenzyl alcohol 99%
2,4-Dimethoxybenzenemethanol2.4-Dimethoxybenzyl alcoholPB47629BENZYL ALCOHOL, 2,4-DIMETHOXY-(2,4-dimethoxyphenyl)methan-1-ol2,4-DimethoxybenzylalcoholASISCHEM V71844OTAVA-BB 1780299

Database identifiers

CAS
7314-44-5
PubChem CID
81750
DTXSID
DTXSID40223397
UNII
5SV9LUD373
EC Number
230-775-2
Nikkaji
J149.881I

Properties

Computed structural properties

XLogP
1.5
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
38 · 38-40 °C(lit.)
Boiling point
177 · 177-179 °C10 mm Hg(lit.)
Density
1.1322 · 1.1322 (rough estimate)
refractive index
1.545 · 1.545-1.548
Flash point
230 °F · >230 °F
storage temp.
Inert atmosphere,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. 2 (100%)；STOT SE 3 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29062990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses2, 4-Dimethoxybenzyl alcohol is used as a medical intermediate.

General Description2,4-Dimethoxybenzyl alcohol reacts with trifluoroacetic acid to yield calix[4]resorcinarene octamethyl ether, which on demethylation and acetylation yields the derived octa-acetate.

Upstream & downstream products

Downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东普创医药科技有限公司18953403321 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Related reactions

28 records
New reaction record

Compound notes

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