o-Propoxyphenol

HCID 80476
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Basic information

CAS
6280-96-2
Standard SMILES
CCCOc1ccccc1O
InChIKey
JFSVGKRARHIICJ-UHFFFAOYSA-N
Molecular formula
C9H12O2
Average molar mass
152.19 g/mol
Monoisotopic mass
152.08372962

Names & identifiers

Preferred name
o-Propoxyphenol
IUPAC
2-propoxyphenol
English name
2-Propoxyphenol
Molecular formula
C9H12O2
Molecular weight
152.19

Names & synonyms

2-Propoxyphenolo-PropoxyphenolPhenol, 2-propoxy-EINECS 228-484-0AI3-08096JFSVGKRARHIICJ-UHFFFAOYSA-DTXSID90211901NSC 6186RefChem:855321DTXCID80134392228-484-0InChI=1/C9H12O2/c1-2-7-11-9-6-4-3-5-8(9)10/h3-6,10H,2,7H2,1H3
Show more names
2-n-Propoxyphenol2-Hydroxyphenylpropyl ether
6280-96-22-propoxy-phenol1-hydroxy-2-propoxybenzeneMFCD06655033NSC-6186Phenol, propoxy-0-propoxyphenolNSC6186

Database identifiers

CAS
6280-96-2
PubChem CID
80476
DTXSID
DTXSID90211901
ChEMBL
CHEMBL2252443
UNII
6Q2E4U98C3
EC Number
228-484-0
Nikkaji
J211.520D

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
11

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Boiling point
227 °C · 227°C (estimate)
Density
1.0523 · 1.0523
refractive index
1.5176 · 1.5176 (estimate)
storage temp.
Sealed in dry,Room Temperature
pka
9.72 · 9.72±0.30(Predicted)
Water Solubility
2.359 g/L · 2.359g/L(24.99 ºC)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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

Hazard information

Regulatory InformationChemical: Phenol, 2-propoxy-
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code
2909500090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H402
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers46 total

上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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