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646-07-1

646-07-1 structure
646-07-1 structure
Name isocaproic acid
Synonyms Isocaproic acid
Pentanoic acid, 4-methyl-
QV2Y1&1
Valeric acid, 4-methyl-
4-Methylvaleric acid
EINECS 211-464-0
4-Methyl-n-valeric acid
MFCD00002803
4-Methylpentanoic acid
Description 4-Methylpentanoic acid (Isocaproic Acid) is a Short chain fatty acid (SCFA)[1].
Related Catalog
References

[1]. Skonieczna-Żydecka K, et al. Faecal Short Chain Fatty Acids Profile is Changed in Polish Depressive Women. Nutrients. 2018 Dec 7;10(12).
Density 0.9±0.1 g/cm3
Boiling Point 201.0±0.0 °C at 760 mmHg
Melting Point -35 °C
Molecular Formula C6H12O2
Molecular Weight 116.158
Flash Point 97.2±0.0 °C
Exact Mass 116.083733
PSA 37.30000
LogP 1.66
Vapour Pressure 0.1±0.8 mmHg at 25°C
Index of Refraction 1.425
Stability Stable. Incompatible with strong bases, strong oxidizing agents.
Water Solubility INSOLUBLE

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NR2975000
CHEMICAL NAME :
Isohexanoic acid (mixed isomers)
CAS REGISTRY NUMBER :
646-07-1
BEILSTEIN REFERENCE NO. :
1741912
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C6-H12-O2
MOLECULAR WEIGHT :
116.18
WISWESSER LINE NOTATION :
QV2Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 2/4/1959
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 2/4/1959 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2050 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 2/4/1959
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1050 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 2/4/1959
Symbol GHS06
GHS06
Signal Word Danger
Hazard Statements H311-H315
Precautionary Statements P280-P312
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes C:Corrosive;Xn:Harmful;
Risk Phrases R21;R34;R38
Safety Phrases S36/37-S45-S36/37/39-S25
RIDADR UN 2810 6.1/PG 3
WGK Germany 3
RTECS NR2975000
Packaging Group III
Hazard Class 8
HS Code 29159080
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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