| Identification | More | [Name]
Methyl heptanoate | [CAS]
106-73-0 | [Synonyms]
C7:0 FATTY ACID METHYL ESTER
ENANTHIC ACID METHYL ESTER
ENANTIC ACID METHYL ESTER
FEMA 2705
HEPTANOIC ACID METHYL ESTER
METHYL ENANTHATE
METHYL HEPTANOATE
METHYL HEPTOATE
METHYL HEPTYLATE
METHYL N-HEPTANOATE
N-HEPTANOIC ACID METHYL ESTER
RARECHEM AL BF 0165
Methyl ester of heptanoic acid
Methyl n-heptylate
Methyl oenanthylate
methyln-heptylate
Methyloenanthate
methyloenanthylate
oenanthicacid,methylester
Heptanoic acid methyl ester~Methyl enanthate | [EINECS(EC#)]
203-428-8 | [Molecular Formula]
C8H16O2 | [MDL Number]
MFCD00009537 | [Molecular Weight]
144.21 | [MOL File]
106-73-0.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless liquid | [Melting point ]
-56°C | [Boiling point ]
172-173 °C(lit.) | [density ]
0.87 g/mL at 25 °C(lit.)
| [FEMA ]
2705 | [refractive index ]
n20/D 1.411(lit.)
| [Fp ]
127 °F
| [storage temp. ]
room temp | [solubility ]
Chloroform: soluble; Ethanol: soluble; Ethyl ether: soluble | [form ]
Liquid | [color ]
Colorless to Light yellow | [Odor]
at 100.00 %. sweet fruit green orris waxy floral berry | [biological source]
synthetic | [Odor Type]
fruity | [Specific Heat Capacity]
Cp(liquid):285.1J/(g·K),at 25℃ | [JECFA Number]
167 | [BRN ]
1747147 | [Henry's Law Constant]
1.8×10-2 mol/(m3Pa) at 25℃, Plyasunov et al. (2004) | [Dielectric constant]
4.3600000000000003 | [Major Application]
cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3 | [InChIKey]
XNCNNDVCAUWAIT-UHFFFAOYSA-N | [SMILES]
CCCCCCC(=O)OC | [LogP]
2.83 | [CAS DataBase Reference]
106-73-0(CAS DataBase Reference) | [NIST Chemistry Reference]
Heptanoic acid, methyl ester(106-73-0) | [EPA Substance Registry System]
106-73-0(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS02 | [Signal word ]
Warning | [Hazard statements ]
H226 | [Precautionary statements ]
P210-P370+P378 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [RIDADR ]
UN 3272 3/PG 3
| [WGK Germany ]
2
| [RTECS ]
MJ2297500
| [TSCA ]
TSCA listed | [HS Code ]
2915 90 70 | [HazardClass ]
3.2 | [PackingGroup ]
III | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Flam. Liq. 3 | [Toxicity]
LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
| Hazard Information | Back Directory | [Description]
Methyl heptanoate has a strong, almost fruity, orris-like odor with
a currant-like flavor. Methyl heptanoate may be prepared by treating heptanoic acid with methyl alcohol in the presence of HCL or H2SO4. | [Chemical Properties]
clear colorless liquid | [Chemical Properties]
Methyl heptanoate has a strong, almost fruity, orris-like odor and currant-like flavor. | [Occurrence]
Reported found in cranberry, papaya, pineapple, blackberry, strawberry, peas, pepper, Parmesan cheese, hop
oil, white wine, olive, starfruit, malt, Bourbon vanilla, mountain papaya, endive, nectarine, lanb’s lettuce, mussel, spineless monkey
orange and rooibus tea (Aspalathus linearis) | [Uses]
Methyl heptanoate may be used as an external standard for the extraction and quantification of aroma compounds in stratch matrices using gas chromatography technique. | [Uses]
Heptanoic Acid Methyl Ester is an aroma and flavor constituent in MD2 pineapple variety (Ananas comosus [L.] Merr.) | [Definition]
ChEBI:Methyl heptanoate is a fatty acid ester. | [Preparation]
By treating heptanoic acid with methyl alcohol in the presence of HCl or H2SO4 | [Aroma threshold values]
Detection: 4 ppb | [Taste threshold values]
Taste characteristics at 35 ppm: sweet fruity and green | [Synthesis Reference(s)]
Canadian Journal of Chemistry, 52, p. 3651, 1974 DOI: 10.1139/v74-546
Journal of the American Chemical Society, 95, p. 1296, 1973 DOI: 10.1021/ja00785a047
Tetrahedron Letters, 29, p. 3833, 1988 DOI: 10.1016/S0040-4039(00)82127-9 | [General Description]
Methyl heptanoate has been identified in pineapple, Hardy kiwifruit and salak fruit. |
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