1-Hexanoic acid

Modify Date: 2024-01-02 14:57:22

1-Hexanoic acid Structure
1-Hexanoic acid structure
Common Name 1-Hexanoic acid
CAS Number 142-62-1 Molecular Weight 116.158
Density 1.0±0.1 g/cm3 Boiling Point 204.6±3.0 °C at 760 mmHg
Molecular Formula C6H12O2 Melting Point −4 °C(lit.)
MSDS Chinese USA Flash Point 104.4±0.0 °C
Symbol GHS05
GHS05
Signal Word Danger

 Names

Name hexanoic acid
Synonym More Synonyms

 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)

 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
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

 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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 Synonyms

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
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