Basic information
- CAS
814-67-5- Standard SMILES
CC(S)CS- InChIKey
YGKHJWTVMIMEPQ-UHFFFAOYSA-N- Molecular formula
- C3H8S2
- Average molar mass
- 108.23 g/mol
- Monoisotopic mass
- 108.00674226
Names & identifiers
- Preferred name
- 2,3-Dimercaptopropane
- IUPAC
- propane-1,2-dithiol
- English name
- 1,2-Propanedithiol
- Molecular formula
- C3H8S2
- Molecular weight
- 108.23
Names & synonyms
1,2-PROPANEDITHIOLPropane-1,2-dithiol814-67-51,2-Dimercaptopropane1,2-Dithiolpropane2,3-Dimercaptopropane1-Methyl-1,2-ethanedithiolFEMA No. 3520NSC-72085GS64223D79DTXSID80862421RefChem:72137
Show more names
PROPYLENEDITHIOL1,2-Propanedithiol>1,2-DIMERCAPTOPROPANE
DTXCID10811189212-398-51,2-propane dithiolMFCD000220731,2-Propanedithiol-propylene dimercaptan1,2-propandithiolPropan-1,2-dithiolEINECS 212-398-5
Database identifiers
- CAS
814-67-5- PubChem CID
- 61217
- DTXSID
DTXSID80862421- UNII
- GS64223D79
- EC Number
- 212-398-5
- Nikkaji
- J43.574K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 20.9
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.075-1.081
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; miscible in oil
(in ethanol)
Boiling Point
152.00 °C. @ 760.00 mm Hg
152 °C
Refractive Index1.531-1.541
Physical Descriptionclear blue liquid
Physicochemical properties
- Melting point
- -79 °C · -79°C (estimate)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (99.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 235 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,2-Propanedithiol
1,2-Propanedithiol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (99.6%)
Safety data
- tsca
- TSCA listed
- rtecs
- TZ2585000
- ridadr
- 1228
- hs_code
- 2930.90.9250
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 16-26-36/37/39
- hazard_class
- 3/6.1
- packing_group
- III
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information1,2-Propanedithiol: ACTIVE
Suppliers36 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
石家庄利达化学品有限公司+86 (311) 8573-7996 · [email protected]
JINING XINHE CHEMICAL CO., LTD+8615318402391 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
Related reactions
29 records
Compound notes
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