Exact Mass: 116.119
Exact Mass Matches: 116.119
Found 74 metabolites which its exact mass value is equals to given mass value 116.119,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
(±)-2-Heptanol
2-heptanol appears as a clear colorless alcohol with a mild alcohol odor. Insoluble in water. Floats on water. Soluble in most organic liquids. Moderately toxic. Used as a solvent for various resins and as a flotation agent for ore processing. Heptan-2-ol is a secondary alcohol that is heptane substituted by a hydroxy group at position 2. It has a role as a bacterial metabolite and a plant metabolite. It is a heptanol and a secondary alcohol. 2-Heptanol is a natural product found in Vitis rotundifolia, Coffea arabica, and other organisms with data available. 2-Heptanol is a metabolite found in or produced by Saccharomyces cerevisiae. (±)-2-Heptanol belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. (±)-2-Heptanol is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, (±)-2-heptanol is considered to be a fatty alcohol lipid molecule A secondary alcohol that is heptane substituted by a hydroxy group at position 2. Flavouring ingredient 2-Heptanol is one of chemical constituents identified in the essential oil of rhizome of Curcuma angustifolia and Curcuma zedoaria. Rhizome essential oil exhibited good antimicrobial and antioxidant activity[1]. 2-Heptanol is one of chemical constituents identified in the essential oil of rhizome of Curcuma angustifolia and Curcuma zedoaria. Rhizome essential oil exhibited good antimicrobial and antioxidant activity[1].
1-Heptanol
1-Heptanol is found in alcoholic beverages. 1-Heptanol is found in a few essential oils, e.g. Rosa rugosa. Also present in roasted peanut, roasted filbert, plum brandy, rice bran, cooked rice, peated malt, Bourbon vanilla, banana, morello cherry, orange, guava fruit, pineapple and plum. 1-Heptanol is a flavouring ingredient.1-Heptanol is an alcohol with a seven carbon chain and the structural formula of CH3(CH2)6OH. It is a clear colorless liquid that is very slightly soluble in water, but miscible with ether and ethanol Found in a few essential oils, e.g. Rosa rugosaand is also present in roasted peanut, roasted filbert, plum brandy, rice bran, cooked rice, peated malt, Bourbon vanilla, banana, morello cherry, orange, guava fruit, pineapple and plum. Flavouring ingredient
xi-3-Heptanol
Xi-3-heptanol, also known as 3-hydroxyheptane or butyl ethyl carbinol, is a member of the class of compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R,R=alkyl, aryl). Thus, xi-3-heptanol is considered to be a fatty alcohol lipid molecule. Xi-3-heptanol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Xi-3-heptanol can be found in fruits and herbs and spices, which makes xi-3-heptanol a potential biomarker for the consumption of these food products. Xi-3-heptanol can be found primarily in feces. xi-3-Heptanol is found in fruits. xi-3-Heptanol is present in strawberry, mint and banana.
Methyl hexyl ether
Methyl hexyl ether is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Heptan-1-ol
A primary alcohol that is heptane substituted by a hydroxy group at position 1. It has been isolated from Capillipedium parviflorum.
Heptan-4-ol
A secondary alcohol that is heptane substituted by a hydroxy group at position 4.
Heptan-3-ol
A secondary alcohol that is heptane substituted by a hydroxy group at position 3.
(2S)-2-heptanol
A secondary alcohol that is heptane substituted by a hydroxy group at position 2 (the 2S-stereoisomer).
2-Ethoxypentane
{"Ingredient_id": "HBIN005598","Ingredient_name": "2-Ethoxypentane","Alias": "NA","Ingredient_formula": "C7H16O","Ingredient_Smile": "CCCC(C)OCC","Ingredient_weight": "116.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40274","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102692","DrugBank_id": "NA"}
