3-m-Anisyl-1-propanol

HCID 96130

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Basic information

CAS: 7252-82-6
Standard SMILES: COc1cccc(CCCO)c1
InChIKey: XOBQNLCSYCFLQG-UHFFFAOYSA-N
Molecular formula: C10H14O2
Average molar mass: 166.22 g/mol
Monoisotopic mass: 166.09937969

Names & identifiers

Preferred name: 3-m-Anisyl-1-propanol
IUPAC: 3-(3-methoxyphenyl)propan-1-ol
English name: 3-(3-Methoxy-phenyl)-propan-1-ol
Molecular formula: C10H14O2
Molecular weight: 166.22

Names & synonyms

3-(3-methoxyphenyl)propan-1-ol1-Propanol, 3-(m-methoxyphenyl)-Benzenepropanol, 3-methoxy-3-Methoxybenzenepropanol3-m-Anisyl-1-propanolRY2N0OY8W4NSC 544473-(3-methoxyphenyl)propanolBRN 18637313-(m-Methoxyphenyl)-1-propanolNSC-54447UNII-RY2N0OY8W4

Show more names

m-Methoxyphenylpropanol3-Methoxy-benzenepropanolm-Methoxyphenyl-1-propanol3-(m-Methoxyphenyl)propanol3-(3-Methoxyphenyl)-1-propanol

3-[3-Methoxyphenyl]propan-1-olDTXSID402228454-06-00-05981 (Beilstein Handbook Reference)RefChem:198317DTXCID70145336Benzenepropanol, 3-methoxy-(9CI)XOBQNLCSYCFLQG-UHFFFAOYSA-N7252-82-6

Database identifiers

CAS: 7252-82-6
PubChem CID: 96130
DTXSID: DTXSID40222845
UNII: RY2N0OY8W4
EC Number: 110-659-7
Nikkaji: J87.490F

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 114

Physicochemical properties

Boiling point: 155 · 155-157 °C(Press: 15 Torr)
Density: 1.037 · 1.037±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
pka: 15.08 · 15.08±0.10(Predicted)
EWG's Food Scores: 1 · 1
FDA UNII: 2 N0OY8W4 · RY2N0OY8W4
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
HS Code: 2909498090 · 2909498090

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)

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%)

Safety data

hs_code: 2909498090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501