4-(Prop-2-en-1-yloxy)benzoic acid

HCID 460690

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Basic information

CAS: 27914-60-9
Standard SMILES: C=CCOc1ccc(C(=O)O)cc1
InChIKey: DYDWKSVZHZNBLO-UHFFFAOYSA-N
Molecular formula: C10H10O3
Average molar mass: 178.18 g/mol
Monoisotopic mass: 178.06299418

Names & identifiers

Preferred name: 4-(Prop-2-en-1-yloxy)benzoic acid
IUPAC: 4-prop-2-enoxybenzoic acid
English name: 4-(ALLYLOXY)BENZOIC ACID
Molecular formula: C10H10O3
Molecular weight: 178.18

Names & synonyms

4-(prop-2-en-1-yloxy)benzoic acidRefChem:516722825-873-24-(allyloxy)benzoic acid27914-60-94-prop-2-enoxybenzoic acid4-Allyloxy-benzoic acid4-Allyloxybenzoic acidMFCD005265424-prop-2-enyloxybenzoic acidBenzoic acid, 4-(2-propenyloxy)-F3146-0046

Show more names

ZERENEX E/5016815TIMTEC-BB SBB010623RARECHEM AL BE 0237LABOTEST-BB LT001590344-Allyloxybenzoic acid,98%

Benzoic acid, 4-(2-propen-1-yloxy)-AKOS BBS-000037624-(Allyloxy)p-allyloxybenzoic acid4-(allyloxy)benzoicacidp-(allyloxy)benzoic acidCambridge id 5310195AKOS BBB/266

Database identifiers

CAS: 27914-60-9
PubChem CID: 460690
DTXSID: DTXSID90332726
EC Number: 825-873-2
Nikkaji: J671.651B

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 181

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point: 163 · 163-166°C
storage temp.: 2 · 2-8°C
Appearance: White to off-white Solid
CAS DataBase Reference: 27914 · 27914-60-9
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22
HazardClass: IRRITANT
HS Code: 29189990 · 29189990

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