Basic information
- CAS
554-12-1- Standard SMILES
CCC(=O)OC- InChIKey
RJUFJBKOKNCXHH-UHFFFAOYSA-N- Molecular formula
- C4H8O2
- Average molar mass
- 88.11 g/mol
- Monoisotopic mass
- 88.05242949
Names & identifiers
- Preferred name
- Methyl propionate
- IUPAC
- methyl propanoate
- English name
- Methyl propionate
- Molecular formula
- C4H8O2
- Molecular weight
- 88.11
Names & synonyms
METHYL PROPIONATE554-12-1Methyl propylatePropionate de methyleFEMA No. 2742FEMA Number 2742Methyl Propionate (natural)NSC 9375HSDB 5688EINECS 209-060-4UNII-NB21C0D33WBRN 1737628
Show more names
C3FEMA 2742C2H5COOCH3femanumber2742METHYLPROPIONATTRIANOIC METHYLpropionatedemethyle
NB21C0D33WAI3-10621NSC-93754-02-00-00704 (Beilstein Handbook Reference)RefChem:6027209-060-4Methyl propanoatePropanoic acid, methyl ester
Database identifiers
- CAS
554-12-1- PubChem CID
- 11124
- DTXSID
DTXSID7027201- ChEMBL
CHEMBL3183973- ChEBI
CHEBI:89873- UNII
- NB21C0D33W
- EC Number
- 209-060-4
- Nikkaji
- J2.654I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 49
Physicochemical properties
- Melting point
- -88 °C · -88 °C (lit.)
- Boiling point
- 79 °C · 79 °C (lit.)
- Density
- 0.915 g/mL · 0.915 g/mL at 25 °C (lit.)
- vapor density
- 3 · 3 (vs air)
- vapor pressure
- 40 mm · 40 mm Hg ( 11 °C)
- refractive index
- 20 · n20/D 1.376(lit.)
- FEMA
- 2742 · 2742 | METHYL PROPIONATE
- FLAVIS Number
- 9.134 · 09.134 | Methyl propionate
- Flash point
- 43 °F · 43 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 2 O: · H2O: soluble16 parts
- form
- Liquid
- color
- Clear colorless
- Odor
- 100 % · at 100.00 %. fresh harsh rum fruity strawberry apple
- Odor Type
- fruity
- biological source
- synthetic
- explosive limit
- 2.5 · 2.5-13%(V)
- Water Solubility
- 5 g/100 · 5 g/100 mL at 20 ºC
- Thermal Conductivity
- 0.136 W/ · 0.136 W/(m·K) at 25 ℃
- Specific Heat Capacity
- 1.94 J/ · Cp(liquid): 1.94 J/(g·K), at 25℃
- JECFA Number
- 141 · 141
- Merck
- 14 · 14,6112
- BRN
- 1737628 · 1737628
- Henry's Law Constant
- 5.8 · 5.8×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
- Dielectric constant
- 5.5 · 5.5(19℃)
- Stability
- Stable. Highly flammable. Incompatible with strong oxidizing agents, acids, bases. Readily forms explosive mixtures with air. Moisture sensitive.
- Major Application
- flavors and fragrances
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- 1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3
- InChIKey
- RJUFJBKOKNCXHH-UHFFFAOYSA-N
- SMILES
- CCC(=O)OC
- LogP
- 0.8 at · 0.8 at 26.6℃
- CAS DataBase Reference
- 554 · 554-12-1(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- METHYL PROPIONATE
- FDA 21 CFR
- 172.515 · 172.515
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 21 C0D33W · NB21C0D33W
- NIST Chemistry Reference
- Propanoic acid, methyl ester(554-12-1)
- EPA Substance Registry System
- Methyl propionate (554-12-1)
- UNSPSC Code
- 85151701 · 85151701
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 303 · H303-H315-H225
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P312-P362+P364-P303+P361+P353-P332+P313-P403+P235
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,Xn
- Risk Statements
- 11 · 11-20-2017/11/20
- Safety Statements
- 16 · 16-24-29-33
- RIDADR
- 1248 · UN 1248
- WGK Germany
- 1 · 1
- RTECS
- 5970000 · UF5970000
- Autoignition Temperature
- 876 °F · 876 °F
- TSCA
- TSCA listed
- HS Code
- 2915 · 2915 50 00
- HazardClass
- 3 · 3
- PackingGroup
- II
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 InhalationEye · Acute Tox. 4 InhalationEye Dam. 1Flam. Liq. 2
- Hazardous Substances Data
- 554 · 554-12-1(Hazardous Substances Data)
- Toxicity
- 50 orally · LD50 orally in Rabbit: 5000 mg/kg
- REACH Registrations
- Active
Safety & regulation
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- UF5970000
- ridadr
- UN 1248
- hs_code
- 2915 50 00
- Toxicity
- LD50 orally in Rabbit: 5000 mg/kg
- risk_code
- 11-20-2017/11/20
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xn
- safety_code
- 16-24-29-33
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H303-H315-H225
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 InhalationEye Dam. 1Flam. Liq. 2
- Autoignition Temperature
- 876 °F
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P312-P362+P364-P303+P361+P353-P332+P313-P403+P235
- Hazardous Substances Data
- 554-12-1(Hazardous Substances Data)
Chemistry & industry
Applications
DescriptionMethyl propionate is an organic compound belonging to the family of carboxylic acid esters, which is commonly applied as a solvent for cellulose nitrate and lacquers. It also serves as a raw material in organic synthesis for manufacturing paints, varnishes and other chemical productions such as methyl methacrylate. Besides, the fruity smell and taste of methyl propanoate results in its usage of fragrances and flavoring agents. Methyl propanoate can be synthesized by esterifying propionic acid with methanol. In the field of industry, it is produced by the reaction of ethylene with carbon monoxide and methanol in the presence of nickel carbonyl.
DescriptionMethyl propionate, also known as methyl propanoate, is a chemical compound with the molecular formula C4H8O2. It is a volatile ester with a sweet, fruity, rum-like odor.
OccurrenceReported found in guava, honey, melon, pineapple, raspberry, blackberry, strawberry, cheddar cheese, cooked beef, coffee, soy protein, durian (Durio zibethinus), starfruit, plum brandy, cherimoya, kiwifruit, naranjilla, mussels and rooibus tea (Aspalathus linearis)
UsesIt is commonly used in organic synthesis. It undergoes vapor-phase aldol condensation with formaldehyde to form methyl methacrylate.
UsesMethyl propionate is used as a solvent for cellulose nitrate and lacquers, and as a raw material for the production of paints, varnishes and other chemicals such as methyl methacrylate. Due to its fruity smell and taste, it is also used in fragrances and flavoring.
General DescriptionA clear colorless liquid. Flash point 28°F. Density about the same as water. Vapors heavier than air. May irritate skin, eyes, and mucous membranes. Used for flavoring and as a solvent.
Preparation methods
PreparationMethyl propionate can be prepared by esterification of propionic acid with methanol. Industrially, it is prepared by the reaction of ethylene with carbon monoxide and methanol in the presence of nickel carbonyl.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: Methyl propionate is a carboxylic ester.
Related reactions
86 records
Compound notes
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