86-87-3

Name 1-Naphthalene acetic acid
CAS 86-87-3
EINECS(EC#) 209-475-0
Molecular Formula C12H10O2
MDL Number MFCD00004126
Molecular Weight 186.21
MOL File 86-87-3.mol

Chemical Properties

Appearance α-Naphthyleneacetic acid is a white crystalline solid, needles, powder, or colorless liquid. Odorless.
Melting point  141-143 °C(lit.)
Boiling point  280.69°C (rough estimate)
bulk density 240kg/m3
density  1.1032 (rough estimate)
refractive index  1.6010 (estimate)
Fp  >100°C
storage temp.  2-8°C
solubility  acetone: 50 mg/mL, clear
form  crystalline
pka 4.30±0.30(Predicted)
color  light yellow
Odor Odorless
PH 3.0 (0.6g/l, H2O, 25℃)
Water Solubility  Slightly soluble in water, ethanol, acetone, chloroform and ether.
Detection Methods T,NMR
Merck  14,6371
BRN  1308415
Henry's Law Constant 3.3×102 mol/(m3Pa) at 25℃, Maniere et al. (2011)
Stability: Hygroscopic
Major Application agriculture
environmental
Cosmetics Ingredients Functions SKIN CONDITIONING
InChI 1S/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
SMILES OC(=O)Cc1cccc2ccccc12
LogP 2.240
Uses
Inducing rooting of plant cuttings, spraying apple trees to prevent early drop, fruit thinner.
CAS DataBase Reference 86-87-3(CAS DataBase Reference)
NIST Chemistry Reference 1-Naphthaleneacetic acid(86-87-3)
EPA Substance Registry System 86-87-3(EPA Substance)

Safety Data

Symbol(GHS)  Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
Signal word  Danger
Hazard statements  H302-H315-H318-H335-H412
Precautionary statements  P261-P273-P280-P305+P351+P338
Hazard Codes  Xi,Xn,C
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.
R37/38:Irritating to respiratory system and skin .
R34:Causes burns.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
S36/39:Wear suitable protective clothing and eye/face protection .
S22:Do not breathe dust .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S27:Take off immediately all contaminated clothing .
WGK Germany  3
RTECS  QJ0876000
TSCA  TSCA listed
HazardClass  IRRITANT
HS Code  29163900
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Chronic 3
Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion. Mutation data reported. A skin, mucous membrane, and severe eye irritant. Can cause depression. A pesticide, When heated to decomposition it emits acrid smoke and irritating fumes.
Hazardous Substances Data 86-87-3(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: 1000 mg/kg LD50 dermal Rabbit > 5000 mg/kg

Hazard Information

Material Safety Data Sheet(MSDS)

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