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Your Location：Home>Product Center >> Acids Compound >> Naphthaleneacetic Acid
  • Naphthaleneacetic Acid
Name:Naphthaleneacetic Acid
CAS No:86-87-3

PRODUCT DESCRIPTION

【Name】
Naphthaleneacetic Acid
【CAS Registry number】
86-87-3
【Synonyms】
1-Naphthalene acetic acid
1-Naphthaleneacetic acid
1-Naphthylacetic acid
alpha-Naphthylacetic Acid
Fruitone
Naphthalene-1-acetic acid
Naphthylacetic acid
Planofix
α-Naphthaleneacetic acid
NAA
(alpha)-Naphthalene-1 acetic acid
α-Naphthylacetic acid
【EINECS(EC#)】
201-705-8
【Molecular Formula】
C12H10O2 (Products with the same molecular formula)
【Molecular Weight】
186.21
【Inchi】
InChI=1/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)
【InChIKey】
PRPINYUDVPFIRX-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC=C2C(=C1)C=CC=C2CC(=O)O
【MOL File】
86-87-3.mol

Chemical and Physical Properties

【Appearance】
white to off white crystals
【Density】
1.263 g/cm3
【Melting Point】
126-133.5℃
【Boiling Point】
352
【Flash Point】
>100oC
【Water】
420 mg/L at 20ºC
【Solubilities】
420 mg/L at 20oC
【Color/Form】
light yellow
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29163900
【Storage temp】
2-8°C
【Spectral properties】
Intense mass spectral peaks: 141 m/z (100%), 186 m/z (49%), 115 m/z (29%), 142 m/z (17%)
MASS: 53261 (NIST/EPA/MSDC Mass Spectral Data base, 1990 version)
UV: 2965 (Sadlter Research Laboratories spectral collection)
IR: 2644 (Coblentz Society spectral collection)
1H NMR: 3238 (Sadtler Research Laboratories spectral collection)
【Computed Properties】
Molecular Weight:186.2066 [g/mol]
Molecular Formula:C12H10O2
XLogP3:2.7
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:2
Exact Mass:186.06808
MonoIsotopic Mass:186.06808
Topological Polar Surface Area:37.3
Heavy Atom Count:14
Formal Charge:0
Complexity:212
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Anion Count:1
Feature 3D Ring Count:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:4

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R22
【Safety Statements 】
S24/25
【Safety】

Hazard Codes?:IrritantXiDangerousNCorrosiveC
Risk Statements?: 
? R36/37/38: Irritating to eyes, respiratory system and skin
? R22: Harmful if swallowed
? R68: Possible risk of irreversible effects
? R41: Risk of serious damage to eyes 
? R34: Causes burns
Safety Statements?: 
? S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
? S24/25 :Avoid contact with skin and eyes 
? S22: Do not breathe dust
? S23: Do not breathe vapour.
? S45: In case of accident or if you feel unwell, seek medical advice immediately (show the 
label whenever possible.)? 
? S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
? S27: Take off immediately all contaminated clothing.? 
WGK Germany: 3

【Skin, Eye, and Respiratory Irritations】
A skin, mucous membrane, and severe eye irritant.
Dusts may cause nasal irritation.
【Transport】
25kgs
【Fire Potential】
NONFLAMMABLE
【Formulations/Preparations】
Fruitone-N, SL (35 g sodium 2-(1-naphthyl)acetate/l); NAA-800, SP (201 g 2-(1-naphthyl)acetic acid/kg); Phyomone, WP (182 g 2-(1-naphthyl)acetic acid/kg); Planofix; tipoff, EC ... Mixtures include: Keriroot, (2-(1-naphthyl)acetic aicd + captan) ...
Rootone F, (4-indol-3-ylbutyric acid + 1-naphthylacetic acid)
Aqueous liquid, aerosol, liquid spray concentrate, powder, water soluble poder (agronaa).
Sol concentrate; water-sol powder; wettable powder; emulsifiable concentrate; dustable powder; tablet.
Mixed formulations: (1-naphthylacetic acid +) dichlorophen; 1-naphthylacetamide; 4-indol-3-ylbutyric acid + thiram
Fruitone-N, SL (35 g sodium 2-(1-naphthyl)acetate/l) ... Tre-Hold Sprout Inhibitor A112, (ethyl 2-(1-naphthyl)acetate). Mixtures include: ... Tre-Hold Tree Wound Dressing, paint (ethyl 2-(1-naphthyl)acetate + phenylmercury acetate). /Ethyl 2-(1-naphthyl)acetic acid/
Usually supplied in dilute form, either as a powder or liquid soln ready for use.
NAFUSAKU
TEKKAM
PRIMACOL
TIP-OFF /discontinued/
PLUCKER /discontinued/
STIK
HORMOFIX
PLANOFIX
AGRONAA
Celmone
Fruit Fix
Floramon
Rhizopon B
NIAGARA-STIK
PARMONE
PHYMONE
PHYOMONE
PIMACOL-SOL
PLANOFIXE
RHODOFIX
STAFAST
STOP-DROP
NU-TONE
TRANSPLANTONE
VARDHAK
【Reactivities and Incompatibilities】
Solutions of the heavy-metal salts of other acids form sparingly-soluble salts of 1-naphthylacetic acid.
【Other Preventative Measures】
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
Do not get on skin or in eyes. ... Do not spray in strong sunlight; preferably spray in late afternoon, evening, or at dusk.
【Protective Equipment and Clothing】
A skin, mucous membrane, and severe eye irritant.
Dusts may cause nasal irritation.
【Octanol/Water Partition Coefficient】
log Kow = 2.24
【Report】

Reported in EPA TSCA Inventory.

【Disposal Methods】
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

... Produced by the hydrolysis of 1-naphthaleneacetonitrile, which is obtained by the chloromethylation of naphthalene and subsequent reaction with sodium cyanide.
U.S. Imports

(1983) 8.38X10+4 lb
Consumption Patterns

1997. U.S. 1-Naphthaleneacetic acid 10,486 lbs active ingredient applied per year.
1992. U.S. 1-Naphthaleneacetic acid 13,146 lbs active ingredient applied per year.
【Usage】

Herbicide.

Biomedical Effects and Toxicity

【Biomedical Effects and Toxicity】
After oral administration /0.1-1.0 mg/ ...of (14)C-naphthaleneacetic acid /(14)C-NAA/ to rats ...83-90% ...was excreted in urine, mostly in 24 hr and 3-10% in feces in 48 hr. After larger doses, excretion of (14)C in urine was prolonged and more was excreted in feces. Thus, after dose of about 100 mg /(14)C-NAA/ rat excreted 55% in 24-hr urine, 16% in 2nd day and 21% in 48-hr feces, whereas, after dose of about 250 mg, rat excreted 25% in 24-hr urine, 42% in 2nd day, 10% in 3rd day, and 18% in 48-hr feces and 3% in 3rd day.
Experiments in rats with cannulated bile ducts showed that fecal /(14)C-naphthaleneacetic acid/ was probably due to material excreted in bile. In rat receiving a lower dose (about 0.1 mg), excretion in urine (38%) was 4-fold more than in bile (9%), whereas in rat receiving a higher dose (about 100 mg), excretion in bile (12%) was 3-fold more than in urine (4%). The pattern applied whether bile was collected for 2 or 6 hr. The portion of /(14)C-NAA/ excreted in bile was greater than that excreted in feces suggesting that entero-hepatic circulation occurred thus, (14)C-compound excreted in bile were partly reabsorbed from intestines (after possible modification, such as deconjugation of conjugates) to be excreted by kidneys. Thus, naphthaleneacetic acid was rapidly and completely absorbed after oral dose to rats and its excretion was dose-dependent, but was rapid after lower doses.
Thin apple and pear blossoms: foliar absorption characteristics: surplus washes off easily; physiological action results from absorbed and translocated portion. Translocation characteristics: mobile; accumulates in meristems.

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 390(SRC), determined from a log Kow of 2.24(2) and a regression-derived equation(3), indicates that 1-naphthaleneacetic acid is expected to have moderate mobility in soil(SRC). The pKa of 1-naphthaleneacetic acid is 4.23(4), indicating that this compound will exist as an anion in the environment and anions typically have greater mobility in soils than do neutral species(5). Volatilization of 1-naphthaleneacetic acid from moist soil surfaces is not expected to be an important fate process(SRC) because anions do not volatilize. 1-Naphthaleneacetic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1.6X10-5 mm Hg(SRC), determined from a fragment constant method(6). 1-Naphthaleneacetic acid has a reported half-life in soil of 10 days, attributed to microbial degradation(7).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 390(SRC), determined from a log Kow of 2.24(2) and a regression-derived equation(3), indicates that 1-naphthaleneacetic acid is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected based upon a pKa of 1-naphthaleneacetic acid of 4.23(4), indicating that this compound will primarily exist in the dissociated form in the environment and anions generally do not adsorb more strongly to organic carbon and clay than their neutral counterparts(5). According to a classification scheme(6), a BCF range of 0.5-4.2(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation is not expected to be a fast environmental fate process in water based upon a 0% theoretical BOD using activated sludge and the MITI test(7). Photolysis may be an important environmental fate process as indicated by the detection of photolysis products 1-naphthoic and phthalic acids following exposure of an aqueous solution of 1-naphthaleneacetic acid to sunlight(8,9).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1-naphthaleneacetic acid, which has an estimated vapor pressure of 1.6X10-5 mm Hg at 25 deg C(SRC), determined from a fragment constant method(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase 1-naphthaleneacetic acid is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 10 hrs(SRC), calculated from its rate constant of 3.7X10-11 cu cm/molecule-sec at 25 deg C(SRC) that was derived using a structure estimation method(3). Particulate-phase 1-naphthaleneacetic acid may be removed from the air by wet and dry deposition(SRC). Photolysis may be an important environmental fate process in the atmosphere as indicated by the detection of photolysis products 1-naphthoic and phthalic acids during analysis of a sunlight exposed aqueous solution of 1-naphthaleneacetic acid(4,5).

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