Basic information
- CAS
19484-26-5- Standard SMILES
CCCCCCCCCCCCCS- InChIKey
IPBROXKVGHZHJV-UHFFFAOYSA-N- Molecular formula
- C13H28S
- Average molar mass
- 216.43 g/mol
- Monoisotopic mass
- 216.19117207
Names & identifiers
- Preferred name
- 1-Tridecanethiol
- IUPAC
- tridecane-1-thiol
- English name
- tridecane-1-thiol
- Molecular formula
- C13H28S
- Molecular weight
- 216.43
Names & synonyms
tridecane-1-thiol1-TRIDECANETHIOLTridecyl mercaptan19484-26-5TRIDECYL THIOLNSC 851NSC-851YW32XX0340EINECS 243-104-31-MERCAPTOTRIDECANEDTXSID8066501RefChem:436856
Show more names
Tridecan-1-thiolTridecyl thioalcohol
DTXCID3036107TridecanethiolUNII-YW32XX0340NSC8511-TRIDECANTHIOLSCHEMBL132801SCHEMBL132802SCHEMBL2794610
Database identifiers
- CAS
19484-26-5- PubChem CID
- 29634
- DTXSID
DTXSID8066501- UNII
- YW32XX0340
- EC Number
- 243-104-3
- Nikkaji
- J97.158H
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 91.2
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Food Contact Substances
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Melting point
- 8.89 °C · 8.89°C
- Boiling point
- 291 ℃ · 291℃
- Density
- 0.841 · 0.841
- refractive index
- 1.4586 · 1.4586
- Flash point
- 112 ℃ · 112℃
- Henry's Law Constant
- 6.4 · 6.4×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2003)
- LogP
- 7.046 · 7.046 (est)
- Indirect Additives used in Food Contact Substances
- 1 · 1-TRIDECANETHIOL
- FDA UNII
- 32 XX0340 · YW32XX0340
- EPA Substance Registry System
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Tridecanethiol: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers5 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
北京东华力拓科技发展有限公司010-88425576 · [email protected]
南京佰瑞利康生物科技有限公司18168036974 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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