3-(3',4'-Dimethoxyphenyl)-1-propanol

HCID 77528
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Basic information

CAS
3929-47-3
Standard SMILES
COc1ccc(CCCO)cc1OC
InChIKey
ZISWRXJZUKDIOO-UHFFFAOYSA-N
Molecular formula
C11H16O3
Average molar mass
196.24 g/mol
Monoisotopic mass
196.10994437

Names & identifiers

Preferred name
3-(3',4'-Dimethoxyphenyl)-1-propanol
IUPAC
3-(3,4-dimethoxyphenyl)propan-1-ol
English name
3-(3,4-Dimethoxyphenyl)-1-propanol
Molecular formula
C11H16O3
Molecular weight
196.24

Names & synonyms

3929-47-33,4-Dimethoxybenzenepropanol327PD521ZL3-(3',4'-Dimethoxyphenyl)-1-propanolDTXSID20192532RefChem:1066628DTXCID60115023223-499-93-(3,4-dimethoxyphenyl)propan-1-ol3-(3,4-Dimethoxyphenyl)-1-propanolBenzenepropanol, 3,4-dimethoxy-3-(3,4-Dimethoxyphenyl)propanol
Show more names
3,4-Dimethoxybenzene-1-propanol3-(3,4-Dimethoxyphenyl)propyl alcohol
EINECS 223-499-9MFCD00002951SCHEMBL811123-(3,4dimethoxy-phenyl)-propan-1-ol3-(3,4-dimethoxy-phenyl)-propan-1-ol3-(3,4-Dimethoxyphenyl)-1-propanol, 99%CS-0317898E84029

Database identifiers

CAS
3929-47-3
PubChem CID
77528
DTXSID
DTXSID20192532
ChEMBL
CHEMBL2088633
UNII
327PD521ZL
EC Number
223-499-9
Nikkaji
J217.765J

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
38.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
14

Experimental & physicochemical properties

Kovats Retention Index1661

Physicochemical properties

Boiling point
142 · 142-144 °C0.5 mm Hg(lit.)
Density
1.081 g/mL · 1.081 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.54(lit.)
Flash point
230 °F · >230 °F
storage temp.
Store at room temperature
Appearance
Colorless to light yellow Liquid

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
wgk
3
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
10 - Combustible liquids
Hazard statements
H302-H315-H319-H335

Chemistry & industry

Applications

Uses3-(3,4-Dimethoxyphenyl)-1-propanol was used in the synthesis of fluorinated benzamide neuroleptic, (S)-N-[(1-ethyl-2- pyrrolidinyl)methyl]-5-(3-fluoropropyl)-2,3-dimethoxybenzamide.

Suppliers27 total

上海康恩博医药科技有限公司17510465506 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

23 records
New reaction record

Compound notes

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