3,4,5-Trimethoxybenzyl alcohol

HCID 77449CAS 3840-31-1
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(CO)cc(OC)c1OC
InChIKey
QPHLRCUCFDXGLY-UHFFFAOYSA-N
Molecular formula
C10H14O4
Average molar mass
198.22 g/mol
Monoisotopic mass
198.08920893

Names & identifiers

Preferred name
3,4,5-Trimethoxybenzyl alcohol
IUPAC
(3,4,5-trimethoxyphenyl)methanol
English name
3,4,5-Trimethoxybenzyl alcohol
Molecular formula
C10H14O4
Molecular weight
198.22

Names & synonyms

3,4,5-Trimethoxybenzyl alcohol3840-31-1(3,4,5-Trimethoxyphenyl)methanol3,4,5-Trimethoxybenzenemethanol3,4,5-Trimethoxybenzylic alcohol3,4,5-trimethoxyphenylmethanolMDV94PFP33EINECS 223-331-4NSC 53949NSC-53949AI3-38651DTXSID20191742
Show more names
RARECHEM AL BD 00633,4,5-TrimethoxybenzyLXanthine Impurity 47-13C3,4,5-Trimethoxybenzalcohol3,4,5-Trimethyxybencylalcohol
RefChem:909363,4,5Trimethoxybenzylic alcoholDTXCID60114233Benzenemethanol, 3,4,5trimethoxy223-331-4InChI=1/C10H14O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5,11H,6H2,1-3HQPHLRCUCFDXGLY-UHFFFAOYSA-NBenzenemethanol, 3,4,5-trimethoxy-

Database identifiers

CAS
3840-31-1
PubChem CID
77449
DTXSID
DTXSID20191742
UNII
MDV94PFP33
EC Number
223-331-4
Nikkaji
J28.532C

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
47.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
14

Experimental & physicochemical properties

PolymersOther Classes -> Alcohols and Polyols, Other
Physical DescriptionYellow viscous liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
3 °C · 3°C
Boiling point
228 °C25 · 228 °C25 mm Hg(lit.)
Density
1.233 g/mL · 1.233 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.543(lit.)
Flash point
230 °F · >230 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See 1,2,3-Trimethoxybenzene.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk
3
hs_code
2909.30.6000
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Applications

UsesPresent in the leaves of Acer truncatum.

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]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

25 records
New reaction record

Linked notes

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