5-(Hydroxymethyl)-1,3-benzenediol | CAS No. 29654-55-5

5-(Hydroxymethyl)-1,3-benzenediol

Basic Information

CAS Number

29654-55-5

Molecular Formula

C7H8O3

Molecular Weight

140.14 g/mol

EINECS

249-751-8

AD

Basic Physical Properties

Melting Point

184.0 to 187.0 deg-C

Boiling Point

360.4℃ at 760 mmHg

Density

1.2127 (rough estimate)

Solubility

Soluble in DMSO, methanol.

Refractive Index

1.4638 (estimate)

C1=C(C=C(C=C1O)O)CO

InChI

InChI=1S/C7H8O3/c8-4-5-1-6(9)3-7(10)2-5/h1-3,8-10H,4H2

InChIKey

NGYYFWGABVVEPL-UHFFFAOYSA-N

LogP

0.5900999999999998

pKa

9.23±0.10(Predicted)

Topological Polar Surface Area

60.69 Ų

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

95

Safety Information

View Safety Information

GHS Hazard Pictograms

H315H315
H319H319
H335H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

Inert atmosphere,2-8°C

Toxicity

mouse,LD50,intravenous,750mg/kg (750mg/kg),British Journal of Pharmacology and Chemotherapy. Vol. 22, Pg. 221, 1964.

RTECS

DO1400000

Synonyms & References

English

  • AM893
  • BRN 2326351
  • EN300-206636
  • 3,5-Dihydroxybenzylalcohol
  • AC-4788
  • 5-hydroxymethyl-benzene-1,3-diol
  • EINECS 249-751-8
  • 5-(Hydroxymethyl)resorcinol
  • MFCD00016867
  • FT-0601818
  • 3,5-Dihydroxybenzyl alcohol, 99%
  • SY020310
  • 5-(Hydroxymethyl)-1,3-benzenediol
  • DTXSID30183830
  • 5-HYDROXYMETHYLBENZENE-1,3-DIOL
  • 129371-31-9
  • N93GGY9WEC
  • D2656
  • 5-(Hydroxymethyl)benzene-1,3-diol
  • AS-30009
  • CHEBI:214756
  • 3,5-Dihydroxybenzyl alcohol
  • CS-W002111
  • NS00028743
  • SCHEMBL248195
  • 3,5-dihydroxy benzyl alcohol
  • BENZYL ALCOHOL, 3,5-DIHYDROXY-
  • CHEMBL4076614
  • W-106981
  • 1,3-Benzenediol, 5-(hydroxymethyl)-
  • 3-06-00-06326 (Beilstein Handbook Reference)

MDL Number

MFCD00016867

EC Number

249-751-8

Customs Code

29052900

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