1-Hexanoic acid
Names
[ CAS No. ]:
142-62-1
[ Name ]:
1-Hexanoic acid
[Synonym ]:
n-Hexoic acid
n-hexanoic acid
EINECS 205-550-7
Hexanoic acid
n-Hexylic acid
Hexylic acid
oxyhexanol
n-Caproic acid
Caproic Acid
Acid C6,Caproic acid
Butylacetic acid
Capronic acid
Hexoic acid
MFCD00004421
Chemical & Physical Properties
[ Density]:
1.0±0.1 g/cm3
[ Boiling Point ]:
204.6±3.0 °C at 760 mmHg
[ Melting Point ]:
−4 °C(lit.)
[ Molecular Formula ]:
C6H12O2
[ Molecular Weight ]:
116.158
[ Flash Point ]:
104.4±0.0 °C
[ Exact Mass ]:
116.083733
[ PSA ]:
37.30000
[ LogP ]:
1.84
[ Vapour density ]:
4 (vs air)
[ Vapour Pressure ]:
0.2±0.4 mmHg at 25°C
[ Index of Refraction ]:
1.428
[ Stability ]:
Stable. Incompatible with bases, reducing agents and oxidizing agents. Flammable.
[ Water Solubility ]:
1.1 g/100 mL (20 ºC)
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- MO5250000
- CHEMICAL NAME :
- Hexanoic acid
- CAS REGISTRY NUMBER :
- 142-62-1
- BEILSTEIN REFERENCE NO. :
- 0773837
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 20
- MOLECULAR FORMULA :
- C6-H12-O2
- MOLECULAR WEIGHT :
- 116.18
- WISWESSER LINE NOTATION :
- QV5
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Open irritation test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- Open irritation test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2050 uL/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 :
- 5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4100 mg/m3/2H
- 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 :
- 3180 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 :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3180 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 :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1725 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 630 uL/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 :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 5 mL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 25200 mg/kg/3W-C
- TOXIC EFFECTS :
- Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
MUTATION DATA
- TYPE OF TEST :
- Cytogenetic analysis
- TEST SYSTEM :
- Non-mammalian species Cells - not otherwise specified
- DOSE/DURATION :
- 10 mmol/L
- REFERENCE :
- CHROAU Chromosoma. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1939- Volume(issue)/page/year: 40,1,1973 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 5 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84192 No. of Facilities: 60 (estimated) No. of Industries: 3 No. of Occupations: 7 No. of Employees: 1526 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84192 No. of Facilities: 735 (estimated) No. of Industries: 8 No. of Occupations: 14 No. of Employees: 10060 (estimated) No. of Female Employees: 3562 (estimated)
Safety Information
[ Symbol ]:
GHS05
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H290-H314
[ Precautionary Statements ]:
P280-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338
[ Personal Protective Equipment ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Hazard Codes ]:
C:Corrosive
[ Risk Phrases ]:
R21;R34
[ Safety Phrases ]:
S26-S36/37/39-S45-S25
[ RIDADR ]:
UN 2829 8/PG 3
[ WGK Germany ]:
1
[ RTECS ]:
MO5250000
[ Packaging Group ]:
III
[ Hazard Class ]:
8
[ HS Code ]:
2915900090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2915900090
[ Summary ]:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%
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