1,3-Benzenedimethanol (HCID 69374)

Names & identifiers

Preferred name: 1,3-Benzenedimethanol
IUPAC: [3-(hydroxymethyl)phenyl]methanol
English name: 1,3-Benzenedimethanol
Molecular formula: C8H10O2
Molecular weight: 138.16

Names & synonyms

1,3-Benzenedimethanol626-18-6EINECS 210-934-2DTXSID9060815RefChem:72447DTXCID1043413YWMLORGQOFONNT-UHFFFAOYSA-N1,3-Phenylenedimethanol[3-(hydroxymethyl)phenyl]methanolm-Xylene-alpha,alpha'-diolMFCD00004649m-Xylylene Glycol

Show more names

m-xylene-α,α'-diolm-xylene-à,à'-diolM-XYLENE-A,A'-DIOLIsophthalyl alcoholRARECHEM AL BD 0071m-Benzenedimethanol

1,3-bis(hydroxymethyl)benzene[3-(hydroxymethyl)phenyl]methan-1-olm-Xylene-a.a/'-diol1,3-Benzenedimethanol, 98%AKOS015915050m-Xylene glycol1,3-Dihydroxymethylbenzene(Benzene-1,3-diyl)dimethanol

Database identifiers

CAS: 626-18-6
PubChem CID: 69374
DTXSID: DTXSID9060815
UNII: 8CKC93MT6D
EC Number: 210-934-2
Nikkaji: J134.735G

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 83.3

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 56 · 56-60 °C (lit.)
Boiling point: 154 · 154-159 °C/13 mmHg (lit.)
Density: 1.161 · 1.1610
refractive index: 1.509 · 1.5090 (estimate)
Flash point: 154 · 154-159°C/13mm
storage temp.: Sealed in dry,Room Temperature
form: Solution, may develop some turbidity precipitate
pka: 13.98 · 13.98±0.10(Predicted)
color: Clear to hazy colorless to yellow
Water Solubility: Soluble in water.
BRN: 1562398 · 1562398
InChI: 1S/C8H10O2/c9-5-7-2-1-3-8(4-7)6-10/h1-4,9-10H,5-6H2
InChIKey: YWMLORGQOFONNT-UHFFFAOYSA-N
SMILES: OCc1cccc(CO)c1
CAS DataBase Reference: 626 · 626-18-6(CAS DataBase Reference)
EPA Substance Registry System: 1 · 1,3-Benzenedimethanol (626-18-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xn
Risk Statements: 20 · 20/22-36-22
Safety Statements: 9 · 9-7-23-26
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29062900 · 29062900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
tsca: TSCA listed
hs_code: 29062900
risk_code: 20/22-36-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 9-7-23-26
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H319
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
Precautionary statements: P264-P270-P280-P301+P312-P305+P351+P338-P337+P313

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,3-Benzenedimethanol: ACTIVE

Applications · 1 item

Uses1,3-Benzenedimethanol was used in the synthesis of a series of cross-linked poly(orthocarbonate)s. It was also used in the synthesis of mixed-tethered system, required for the preparation of e-edge-[60]fullerenylmethanodihydropyrrole adduct.