Basic information
- Standard SMILES
O=C(O)COc1ccc2ccccc2c1- InChIKey
RZCJYMOBWVJQGV-UHFFFAOYSA-N- Molecular formula
- C12H10O3
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.06299418
Overview
2-naphthyloxyacetic acid is a naphthyloxyacetic acid.
Names & identifiers
- Preferred name
- 2-Naphthoxyacetic acid
- IUPAC
- 2-naphthalen-2-yloxyacetic acid
- English name
- 2-Naphthoxyacetic acid
- Molecular formula
- C12H10O3
- Molecular weight
- 202.21
Names & synonyms
2-Naphthoxyacetic acid120-23-0(2-Naphthyloxy)acetic acid2-Naphthyloxyacetic acidBetoxon2-NoxaNOXABetapalBETA-NAPHTHOXYACETIC ACIDO-(2-Naphthyl)glycolic acidBetoksonbeta-Naphthyloxyacetic acid
Show more names
BNOBNOA(2-Naphthalenyloxy)acetic acidβ-Naphthoxyacetic acidnoaBerapal
(beta-Naphthalenyloxy)acetic acidDTXSID2042195717GVR334RNSC-2070DTXCID0022195CHEBI:50397RefChem:910128204-380-0
Database identifiers
- CAS
120-23-0- PubChem CID
- 8422
- DTXSID
DTXSID2042195- ChEMBL
CHEMBL1732186- ChEBI
CHEBI:50397- UNII
- 717GVR334R
- EC Number
- 204-380-0
- Nikkaji
- J5.322H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
Pesticides
Plant Growth Regulators
Active substance -> EU Pesticides database: Not approved
LogP2.530
Melting Point156 °C
Physical DescriptionSolid
Collision Cross Section151.2 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2042195]
Physicochemical properties
- Melting point
- 151 · 151-154 °C(lit.)
- Boiling point
- 300.32 °C · 300.32°C (rough estimate)
- Density
- 1.1868 · 1.1868 (rough estimate)
- refractive index
- 1.544 · 1.5440 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Soluble in DMSO
- pka
- 3.18 · 3.18±0.30(Predicted)
- form
- crystalline
- color
- gray
- Water Solubility
- Soluble in alcohol, ether, acetic acid and dimethyl sulfoxide. Slightly soluble in water.
- Merck
- 14 · 14,6397
- BRN
- 1074148 · 1074148
- Henry's Law Constant
- 3.5 · 3.5×105 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- InChI
- 1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)
- InChIKey
- RZCJYMOBWVJQGV-UHFFFAOYSA-N
- SMILES
- OC(=O)COc1ccc2ccccc2c1
- LogP
- 2.53 · 2.530
- CAS DataBase Reference
- 120 · 120-23-0(CAS DataBase Reference)
- FDA UNII
- 717 GVR334R · 717GVR334R
- NIST Chemistry Reference
- Acetic acid, (2-naphthyloxy)-(120-23-0)
- EPA Substance Registry System
- Naphthoxyacetic acid (120-23-0)
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 72 · NA.72
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 301 · P301+P312+P330
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- RTECS
- 9659000 · AI9659000
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29189900 · 29189900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
- Toxicity
- 50 orally · LD50 orally in Rabbit: 500 mg/kg
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Acetic acid, (2-naphthalenyloxy)-
Commission Regulation (EC) No 33/2008
2009/65, Reg. (EU) No 1127/2011
(2-Naphthalenyloxy)acetic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AI9659000
- hs_code
- 29189900
- Toxicity
- LD50 orally in Rabbit: 500 mg/kg
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2-(2-naphthalenyloxy)-: ACTIVE
Applications
Description2-naphthyloxyacetic acid is a plant hormone used to encourage fruit set. It is moderately soluble in water and is not volatile. It is not considered to be environmentally persistent but does have potential to leach to groundwater. It has a moderate to low toxicity to most biodiversity. 2-naphthyloxyacetic acid has a moderate oral mammalian toxicity and is a recognised irritant.
Uses2-Naphthoxyacetic acid is a phytohormone used as a plant growth regulator on tomatoes and strawberries.
Uses2-Naphthoxyacetic Acid is a derivative of Naphthalene (N345600) and considered to be a phytohormone belonging to the class of auxins.
Uses2-Naphthoxyacetic acid has been used as a component for embryo cell suspension maintenance medium. It has been used as a medium component for inducing somatic embryogenesis in grapevine.
General Description2-Naphthoxyacetic acid is a plant growth hormone having structure related to auxin and is majorly used to regulate growth of tomatoes, apple and grapes.
Upstream & downstream products
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Additional notes
DefinitionChEBI: 2-naphthyloxyacetic acid is a naphthyloxyacetic acid.
Related reactions
22 records
Linked notes
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