Introduction:Basic information about CAS 133-32-4|3-Indolebutyric acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Indole-3-butyric acid (3-indolebutyric acid; IBA) is a plant growth auxin and a good rooting agent. It can promote herbs and woody ornamental plant rooting and used for improving fruit rate.
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Chemical & Physical Properties
Density
1.3±0.1 g/cm3
Boiling Point
426.6±20.0 °C at 760 mmHg
Melting Point
124-125.5 °C(lit.)
Molecular Formula
C12H13NO2
Molecular Weight
203.237
Flash Point
211.8±21.8 °C
Exact Mass
203.094635
PSA
53.09000
LogP
2.34
Vapour Pressure
0.0±1.1 mmHg at 25°C
Index of Refraction
1.646
InChIKey
JTEDVYBZBROSJT-UHFFFAOYSA-N
SMILES
O=C(O)CCCc1c[nH]c2ccccc12
Storage condition
2-8°C
Stability
Stable. Incompatible with strong oxidizing agents. Light sensitive.
Toxicological Information
CHEMICAL IDENTIFICATION
RTECS NUMBER :
NL5250000
CHEMICAL NAME :
1H-Indole-3-butanoic acid
CAS REGISTRY NUMBER :
133-32-4
BEILSTEIN REFERENCE NO. :
0171120
LAST UPDATED :
199701
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C12-H13-N-O2
MOLECULAR WEIGHT :
203.26
WISWESSER LINE NOTATION :
T56 BMJ D3VQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
MUTATION DATA
TYPE OF TEST :
Mutation test systems - not otherwise specified
TEST SYSTEM :
Human Leukocyte
DOSE/DURATION :
100 nmol/L
REFERENCE :
EXPEAM Experientia. (Birkhaeuser Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1945- Volume(issue)/page/year: 32,29,1976 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1123 No. of Facilities: 144 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 864 (estimated)
Safety Information
Symbol
GHS06
Signal Word
Danger
Hazard Statements
H301-H315-H319-H335
Precautionary Statements
P261-P301 + P310-P305 + P351 + P338
Personal Protective Equipment
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes
T:Toxic
Risk Phrases
R25;R36/37/38
Safety Phrases
S26-S36-S45-S38-S36/37/39-S28A
RIDADR
UN 2811 6.1/PG 3
WGK Germany
3
RTECS
NL5250000
Packaging Group
III
Hazard Class
6.1
HS Code
2942000000
Customs
HS Code
2933990090
Summary
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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