1-Hexanoic acid

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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

Click to get detail 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

1-Hexanol
Carbon dioxide
1-PENTYLZINC BROMIDE
Hexanal
Hept-1-ene
1-nitrohexane
Sorbic acid
Caproic anhydride
Phenylboronic acid
Hexylamine

DownStream

5-chlorohexanoic acid
3-(1-hydroxyhexylidene)oxolane-2,4-dione
trans-2-hexenyl hexanoate
(2S)-2-Pentanol
2-Pentanol
2-PROPYLHEXANOIC ACID
1,3-DINITRONAPHTHALENE
(3Z)-3-Hexen-1-yl hexanoate

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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