1.0 2010-04-08 22:05:46 UTC 2019-11-26 02:59:07 UTC FDB003381 1-Butanethiol 1-Butanethiol is a flavouring agent. It is found in animal foods such as beef and raw chicken. It is also found in cooked potatoes and in milk and milk products (e.g. Cheshire cheese). 1-Butyl mercaptan 1-butylthiol 1-Mercaptobutane Bear skunk butane-1-thiol Butanethiol Butyl mercaptan Butyl thioalcohol Butylthiol FEMA 3478 Mercaptan C4 N-butanethiol N-butyl mercaptan n-butyl mercaptan, 1,2-(14)C,2-(35) S-labeled cpd n-butyl mercaptan, 14C,1-(35)S-labeled cpd n-butyl mercaptan, 2-(14)C,2-(35)s-labeled cpd n-butyl mercaptan, Ag(+1) salt n-butyl mercaptan, copper (+1) salt n-butyl mercaptan, geranium (+2) salt n-butyl mercaptan, lead (+2) salt N-butyl mercaptan, lithium salt n-butyl mercaptan, molybdenum (+3) salt N-butyl mercaptan, potassium salt n-butyl mercaptan, silver (+2) salt N-butyl mercaptan, sodium salt n-butyl mercaptan, tin (+2) salt N-butyl thioalcohol N-butylmercaptan N-butylthiol n-C4H9SH Normal butyl thioalcohol Thiobutyl alcohol C4H10S 90.187 90.05032101 butane-1-thiol butanethiol 109-79-5 CCCCS InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3 WQAQPCDUOCURKW-UHFFFAOYSA-N belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain. Alkylthiols Organic compounds Organosulfur compounds Thiols Alkylthiols Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Alkylthiol Hydrocarbon derivative logp 2.51 ALOGPS logs -1.47 ALOGPS solubility 3.06e+00 g/l ALOGPS melting_point Fp -119° logp 2.06 ChemAxon pka_strongest_acidic 10.2 ChemAxon iupac butane-1-thiol ChemAxon average_mass 90.187 ChemAxon mono_mass 90.05032101 ChemAxon smiles CCCCS ChemAxon formula C4H10S ChemAxon inchi InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3 ChemAxon inchikey WQAQPCDUOCURKW-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 28.16 ChemAxon polarizability 11.27 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1750 Specdb::MsIr 4356 Specdb::MsIr 4357 Specdb::MsIr 4358 Specdb::CMs 13508 Specdb::CMs 29272 Specdb::CMs 100720 Specdb::CMs 163610 Specdb::NmrOneD 3790 Specdb::NmrOneD 4049 Specdb::NmrOneD 163489 Specdb::NmrOneD 163490 Specdb::NmrOneD 163491 Specdb::NmrOneD 163492 Specdb::NmrOneD 163493 Specdb::NmrOneD 163494 Specdb::NmrOneD 163495 Specdb::NmrOneD 163496 Specdb::NmrOneD 163497 Specdb::NmrOneD 163498 Specdb::NmrOneD 163499 Specdb::NmrOneD 163500 Specdb::NmrOneD 163501 Specdb::NmrOneD 163502 Specdb::NmrOneD 163503 Specdb::NmrOneD 163504 Specdb::NmrOneD 163505 Specdb::NmrOneD 163506 Specdb::NmrOneD 163507 Specdb::NmrOneD 163508 Specdb::MsMs 55089 Specdb::MsMs 55090 Specdb::MsMs 55091 Specdb::MsMs 168036 Specdb::MsMs 168037 Specdb::MsMs 168038 Specdb::MsMs 2388050 Specdb::MsMs 2388051 Specdb::MsMs 2388052 Specdb::MsMs 2573800 Specdb::MsMs 2573801 Specdb::MsMs 2573802 HMDB31322 #<Reference:0x000055ac40c4fdf0> Milk and milk products Unknown generic Potato Type 1 specific Solanum tuberosum 4113 coffee egg garlic onion sulfury