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590-01-2

Basic Information
CAS No.: 590-01-2
Name: Butyl propionate
Article Data: 92
Molecular Structure:
Molecular Structure of 590-01-2 (Butyl propionate)
Formula: C7H14O2
Molecular Weight: 130.187
Synonyms: Propionicacid, butyl ester (6CI,8CI);NSC 8449;n-Butyl propanoate;n-Butyl propionate;
EINECS: 209-669-5
Density: 0.882 g/cm3
Melting Point: -75 °C
Boiling Point: 146.136 °C at 760 mmHg
Flash Point: 38.333 °C
Solubility: 0.2 g/100 mL (20 °C) in water
Appearance: Clear colourless liquid
Hazard Symbols: IrritantXi
Risk Codes: 10-36/37/38
Safety: 16-26-36/37/39
Transport Information: UN 1914 3/PG 3
PSA: 26.30000
LogP: 1.73970
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  • Butyl propionate

  • Casno:

    590-01-2

    Butyl propionate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    CFTC?PharmaChem?is?a?service?based?company?in?China,?a?pharmachem?division?of?Changzhou?Foreign?Trade?Corp.,supplying?raw?materials,?intermediates,?APIs?and?fine?chemicals?for?the?pharmaceutical?and?specialty?chemical?industries?worldwide. Applicatio

    CFTC PharmaChem is a service based company in China, a pharmachem division of Changzhou Foreign Trade Corp.,supplying raw materials, intermediates, APIs and fine chemicals for the

  • Changzhou Foreign Trade Corp

     China (Mainland)  |  Contact Details

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    Tel:+86-519-86623222

    Address:29F/D, 99 Yanling West Road, Changzhou, Jiangsu, China

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  • Butyl propionate

  • Casno:

    590-01-2

    Butyl propionate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    FEMA# 2211

    Yancheng China Flavor Chemicals Co., Ltd., formerly Kunshan Qingsong Flavor & Essence Factory, was founded in the year 1966, with registered ca

  • Yancheng China Flavor Chemicals Co., Ltd.

    China (Mainland)  |  Contact Details

    Business Type:Manufacturers

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

The Butyl propionate, with the CAS registry number 590-01-2, is also known as Propionic acid, butyl ester. It belongs to the product categories of Organics; A-B; Alphabetical Listings; Flavors and Fragrances; C6 to C7; Carbonyl Compounds; Esters. Its EINECS registry number is 209-669-5. This chemical's molecular formula is C7H14O2 and molecular weight is 130.18. What's more, its IUPAC name is the same with product name. It should be stored in a cool, dry and well-ventilated place.

Physical properties about Butyl propionate are: (1)ACD/LogP: 2.314; (2) # of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 33.76; (6)ACD/BCF (pH 7.4): 33.76; (7)ACD/KOC (pH 5.5): 432.16; (8)ACD/KOC (pH 7.4): 432.16; (9)#H bond acceptors: 2 ; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.406; (14)Molar Refractivity: 36.254 cm3; (15)Molar Volume: 147.565 cm3; (16)Polarizability: 14.372×10-24 cm3; (17)Surface Tension: 26.68 dyne/cm; (18)Density: 0.882 g/cm3; (19)Flash Point: 38.333 °C; (20)Enthalpy of Vaporization: 38.316 kJ/mol; (21)Boiling Point: 146.136 °C at 760 mmHg; (22)Vapour Pressure: 4.703 mmHg at 25 °C.

Preparation of Butyl propionate: this chemical can be prepared by propionic acid with butan-1-ol. This reaction needs reagent Rhizomucor miehei lipase and solvent heptane at temperature of 40 °C. The reaction time is 24 hours. The yield is 96.2 %.

Butyl propionate can be prepared by propionic acid with butan-1-ol.

Uses of Butyl propionate: (1) it is used as a flavor, spice, and solvent of nitrocellulose; (2) it is used to produce other chemicals. For example, it can react with iodo-[3H]methane to get n-butyl [3,4-3H]isobutyrate. The reaction occurs with reagents LDA, HMPA and solvent tetrahydrofuran.

Butyl propionate can react with iodo-[3H]methane to get n-butyl [3,4-3H]isobutyrate.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. In addition, it is flammable. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And you must keep away from sources of ignition. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCC)CC
(2) InChI: InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3
(3) InChIKey: BTMVHUNTONAYDX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 14gm/kg (14000mg/kg)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 192, 1992.
rat LD50 oral 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 18, Pg. 661, 1980.