1,9-Nonanedithiol
Basic information
- CAS
3489-28-9- Standard SMILES
SCCCCCCCCCS- InChIKey
GJRCLMJHPWCJEI-UHFFFAOYSA-N- Molecular formula
- C9H20S2
- Average molar mass
- 192.4 g/mol
- Monoisotopic mass
- 192.10064299
Overview
1,9-Nonanedithiol is an alkanethiol.
Names & identifiers
- Preferred name
- 1,9-Nonanedithiol
- IUPAC
- nonane-1,9-dithiol
- English name
- 1,9-Nonanedithiol
- Molecular formula
- C9H20S2
- Molecular weight
- 192.39
Names & synonyms
1,9-Nonanedithiol3489-28-9nonane-1,9-dithiol1,9-DimercaptononaneNonamethylene dimercaptan5BPJ1XQE3TFEMA No. 3513NSC-65658DTXSID7063053RefChem:73800DTXCID9038921222-482-3
Show more names
Nonanedithiol1,9-nonandithiolNonan-1,9-dithiol1,9-NonanebisthiolNonane-1,9-bisthiol1,9-Nonanedithiol,97%
MFCD00004914UNII-5BPJ1XQE3TFEMA 35131,9-Nonanedithiol, 99%SCHEMBL1125421,9-NONANEDITHIOL [FHFI]1,9-Nonanedithiol, >=95%, FGAS-56866
Database identifiers
- CAS
3489-28-9- PubChem CID
- 248488
- DTXSID
DTXSID7063053- ChEBI
CHEBI:166593- UNII
- 5BPJ1XQE3T
- EC Number
- 222-482-3
- Nikkaji
- J216.152D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 56.6
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Thiols
SpringerMaterials PropertiesBoiling point
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.952-0.957
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; miscible in oils
(in ethanol)
Boiling Point
116.00 °C. @ 0.10 mm Hg
284 °C
Melting Point-17.5 °C
Refractive Index1.4999-1.5099
Physical Description
Colorless liquid with odor of "stench"; Immiscible in water; [MSDSonline]
Liquid
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
Warning
H302 (96.5%): 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 1417 reports by companies from 7 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,9-Nonanedithiol
1,9-Nonanedithiol: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA strong irritant; Can cause delayed pulmonary edema; [MSDSonline] See THIOLS.
Hazard Classes and CategoriesAcute Tox. 4 (96.5%)
Toxicology
Adverse EffectsOther Poison - Chemical Asphyxiant
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2810
- hs_code
- 29309090
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information1,9-Nonanedithiol: ACTIVE
Applications
UsesPossible uses: mushroom, meat, chicken, cereal, cucumber.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 1,9-Nonanedithiol is an alkanethiol.
Suppliers
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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