ChemicalBook--->CAS DataBase List--->334-48-5

334-48-5

334-48-5 Structure

334-48-5 Structure
IdentificationMore
[Name]

Capric acid
[CAS]

334-48-5
[Synonyms]

1-NONANECARBOXYLIC ACID
AKOS 222-44
CAPRIC ACID
CAPRINIC ACID
CARBOXYLIC ACID C10
DECANOIC ACID
DECYLIC ACID
FEMA 2364
N-CAPRIC ACID
N-DECANOIC ACID
RARECHEM AL BO 0435
1-decanoic acid
acidedecanoique
Caprinsαure
Caprynic acid
caprynicacid
Decansαure
Decatoicacid
Decoic acid
decoicacid
[EINECS(EC#)]

206-376-4
[Molecular Formula]

C10H20O2
[MDL Number]

MFCD00004441
[Molecular Weight]

172.26
[MOL File]

334-48-5.mol
Chemical PropertiesBack Directory
[Appearance]

White crystalline solid or needles. Unpleasant, rancid odor.
[Melting point ]

27-32 °C(lit.)
[Boiling point ]

268-270 °C(lit.)
[bulk density]

690kg/m3
[density ]

0.893 g/mL at 25 °C(lit.)
[vapor pressure ]

15 mm Hg ( 160 °C)
[FEMA ]

2364
[refractive index ]

1.4169
[Fp ]

>230 °F
[storage temp. ]

room temp
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Crystalline Solid
[pka]

4.79±0.10(Predicted)
[color ]

White
[Odor]

Odorless
[PH]

4 (0.2g/l, H2O, 20℃)
[Stability:]

Stable. Incompatible with bases, reducing agents, oxidizing agents.
[biological source]

plant
[Odor Type]

fatty
[Water Solubility ]

0.15 g/L (20 º C)
[Thermal Conductivity]

0.15 W/(m·K) at 25 ℃
[Usage]

Intermediates of Liquid Crystals
[JECFA Number]

105
[Merck ]

14,1758
[BRN ]

1754556
[Henry's Law Constant]

7.4×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
SURFACTANT - CLEANSING
SURFACTANT - EMULSIFYING
CLEANSING
FRAGRANCE
[Cosmetic Ingredient Review (CIR)]

Decanoic acid (334-48-5)
[InChI]

1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
[InChIKey]

GHVNFZFCNZKVNT-UHFFFAOYSA-N
[SMILES]

CCCCCCCCCC(O)=O
[LogP]

4.1 at 20℃
[CAS DataBase Reference]

334-48-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Decanoic acid(334-48-5)
[EPA Substance Registry System]

334-48-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H412
[Precautionary statements ]

P264-P273-P280-P302+P352-P305+P351+P338-P332+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R36/38:Irritating to eyes and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

1
[RTECS ]

HD9100000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29159080
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Chronic 3
Eye Irrit. 2
Skin Irrit. 2
[Safety Profile]

Poison by intravenous route. Mutation data reported. A moderate skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
[Hazardous Substances Data]

334-48-5(Hazardous Substances Data)
[Toxicity]

LD50 i.v. in mice: 129 ±5.4 mg/kg (Or, Wretlind)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Lauric acid-->Coconut oil-->Litsea cubeba oil-->LAUREL OIL FROM LAURUS NOBILIS-->COCONUT OIL FATTY ACIDS-->Tris(4-bromophenyl)amine-->2,4-Dimethoxybenzaldehyde
[Preparation Products]

Tetrakis(decyl)ammonium bromide-->Decyl aldehyde-->Misoprostol-->Decylamine-->2-Nitroacetophenone-->SEBACIC ACID DI-N-OCTYL ESTER-->2-Undecanone-->Diisooctyl sebacate-->MONOCAPRYLIN-->Ethyl caprate-->Emollient for chewing gums-->Decanoyl/octanoyl-glycerides-->5-Decanolide-->Decanoyl chloride-->1,2-DIDECANOYL-SN-GLYCEROL
Hazard InformationBack Directory
[General Description]

White crystalline solid with a rancid odor. Melting point 31.5°C. Soluble in most organic solvents and in dilute nitric acid; non-toxic. Used to make esters for perfumes and fruit flavors and as an intermediate for food-grade additives.
[Reactivity Profile]

DECANOIC ACID(334-48-5) reacts exothermically to neutralize bases. Can react with active metals to form gaseous hydrogen and a metal salt. May absorb enough water from the air and dissolve sufficiently in DECANOIC ACID(334-48-5) to corrode or dissolve iron, steel, and aluminum parts and containers. Reacts with cyanide salts or solutions of cyanide salts to generate gaseous hydrogen cyanide. Reacts exothermically with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides to generate flammable and/or toxic gases. Can react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Reacts with carbonates and bicarbonates to generate a harmless gas (carbon dioxide). Can be oxidized exothermically by strong oxidizing agents and reduced by strong reducing agents; a wide variety of products is possible. May initiate polymerization reactions or catalyze (increase the rate of) reactions among other materials.
[Air & Water Reactions]

Insoluble in water.
[Health Hazard]

Harmful if swallowed or inhaled. Material is irritating to tissues of mucous membranes, and upper respiratory tract, eyes and skin.
[Potential Exposure]

Deconoic acid (fatty acids, saturated, linear, number of C-atoms ≥8 and ≤12, with termi- nating carboxyl group) is a carboxylic acid microbiocide used in cleaning, sanitizing and disinfecting applications for food processors and dairy farmers.
[Fire Hazard]

This chemical is combustible.
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions) if breathing has stopped, and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. If victim is conscious and able to swallow, have victim drink four to eight ounces of water. Do not induce vomiting.
[Shipping]

UN3077 Environmentally hazardous substances, solid, n.o.s., Hazard class: 9; Labels: 9-Miscellaneous hazardous material, Technical Name Required.
[Incompatibilities]

An organic carboxylic acid. Keep away from oxidizers, sulfuric acid, caustics, ammonia, aliphatic amines, alkanolamines, isocyanates, alkylene oxides, and epichlorohydrin. Corrosive solution; attacks most common metals. React violently with strong oxidizers, bromine, 90% hydrogen peroxide, phosphorus trichloride, silver powders or dust. Mixture with some silver compounds forms explosive salts of silver oxalate. Incompatible with silver compounds.
[Chemical Properties]

Fatty, unpleasant, rancid odor.
[Chemical Properties]

White crystalline solid or needles. Unpleasant, rancid odor.
[Chemical Properties]

white crystals with an unpleasant odour
[Waste Disposal]

Recycle any unused portion of the material for its approved use or return it to the manu- facturer or supplier. Ultimate disposal of the chemical must consider: the material’s impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations .
[Occurrence]

Reported found in apple, beer, preferments of bread, butter, oil, cheese, blue cheese, Romano cheese, cheddar cheese, Roquefort cheese, roasted cocoa bean, cognac, muscat grape, grape musts and wine, and other natural sources. Also reported in citrus peel oils, orange juice, apricots, guava, papaya, strawberry, butter, yogurt, milk, mutton, hop oil, Bourbon and Scotch whiskey, rum, coffee, mango and tea.
[Uses]

Decanoic acid is used in manufacturing of esters for artificial fruit flavors and perfumes.
[Uses]

Intermediates of Liquid Crystals
[Uses]

manufacture of esters for artificial fruit flavors and perfumes; as an intermediate in other chemical syntheses.
[Uses]

Manufacturing of esters for artificial fruit flavors and perfumes. Also as an intermediate in chemical syntheses. It is used in organic synthesis and industrially in the manufacture of perfumes, lubricants, greases, rubber, dyes, plastics, food additives and pharmaceuticals.
Pharmaceuticals
Decanoate salts and esters of various drugs are available. Since decanoic acid is a fatty acid, forming a salt or ester with a drug will increase its lipophilicity and its affinity for fatty tissue. Since distribution of a drug from fatty tissue is usually slow, one may develop a long-acting injectable form of a drug (called a Depot injection) by using its decanoate form. Some examples of drugs available as a decanoate ester or salt include nandrolone, fluphenazine, bromperidol, haloperidol and vanoxerine.
[Definition]

ChEBI: A C10, straight-chain saturated fatty acid.
[Preparation]

Prepared by oxidation of decanol.
[Production Methods]

Decanoic acid can be prepared from oxidation of primary alcohol decanol, by using chromium trioxide (CrO3) oxidant under acidic conditions.
Neutralization of decanoic acid or saponification of its esters, typically triglycerides, with sodium hydroxide will give sodium decanoate. This salt (CH3(CH2)8COO-Na+) is a component of some types of soap.
[Aroma threshold values]

Detection: 2.2 to 102 ppm
[Synthesis Reference(s)]

Synthetic Communications, 20, p. 1617, 1990 DOI: 10.1080/00397919008053081
Synthesis, p. 99, 1970
[Flammability and Explosibility]

Notclassified
[Biochem/physiol Actions]

Decanoic acid is helpful in the attenuation of oxidative stress. Decanoic acid in ketogenic diet is involved in mitochondrial biogenesis thereby enhancing the citrate synthase and complex I activity of electron transport chain.
[storage]

Store at RT
[Purification Methods]

The acid is best purified by conversion into its methyl ester, b 114.0o/15mm (using excess MeOH, in the presence of H2SO4). The H2SO4 and MeOH are removed, the ester is distilled in vacuo through a 3ft column packed with glass helices. The acid is then obtained from the ester by saponification and vacuum distillation. [Trachtman & Miller J Am Chem Soc 84 4828 1962, Beilstein 2 IV 1041.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Capric acid(334-48-5).msds
Questions And AnswerBack Directory
[Description]

Decanoic acid (capric acid) is a saturated fatty acid with a 10-carbon backbone. It occurs naturally in coconut oils, palm kernel oil, and the milk of cow/goat.
Capric acid is most commonly used in the cosmetic and personal care, food/beverage, and pharmaceutical industries. It is also used as an intermediate in chemical syntheses. Furthermore, it is used in organic synthesis and in the manufacture of lubricants, greases, rubber, plastics, and dyes.
[References]

[1] https://www.efsa.europa.eu
[2] https://circabc.europa.eu
[3] http://www.chemicalland21.com
[4] http://www.prnewswire.com/news-releases/global-capric-acid-market-2017-2021-300423638.html  
Spectrum DetailBack Directory
[Spectrum Detail]

Decanoic acid(334-48-5)MS
Decanoic acid(334-48-5)1HNMR
Decanoic acid(334-48-5)13CNMR
Decanoic acid(334-48-5)IR1
Decanoic acid(334-48-5)IR2
Decanoic acid(334-48-5)IR3
Decanoic acid(334-48-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Decanoic acid, 96%(334-48-5)
[Alfa Aesar]

Decanoic acid, 99%(334-48-5)
[Sigma Aldrich]

334-48-5(sigmaaldrich)
[TCI AMERICA]

Decanoic Acid,>98.0%(GC)(T)(334-48-5)
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