Basic information
- CAS
5943-34-0- Standard SMILES
CC(C)SSSC(C)C- InChIKey
WUZSBMCRYUJOEU-UHFFFAOYSA-N- Molecular formula
- C6H14S3
- Average molar mass
- 182.4 g/mol
- Monoisotopic mass
- 182.02576397
Overview
See also: bis(1-METHYLETHYL)TRISULFIDE (annotation moved to).
Names & identifiers
- Preferred name
- Diisopropyl trisulfide
- IUPAC
- 2-(propan-2-yltrisulfanyl)propane
- English name
- DIISOPROPYL TRISULFIDE
- Molecular formula
- C6H14S3
- Molecular weight
- 182.37
Names & synonyms
Diisopropyl trisulfideDiisopropyl trisulphideUNII-4FQ8084070EINECS 227-703-72,6-dimethyl-3,4,5-trithiaheptaneISOPROPYL TRISULFIDE4FQ8084070FEMA NO. 3968DTXSID50208155RefChem:134076DTXCID70130646DIISOPROPYL TRISULFIDE[FHFI]
Show more names
FEMA 3968DiisopropylTrisulfide>Diisopropyl pertrisulfideTrisulfide,bis(1-methylethyl)DIISOPROPYL TRISULFIDE USP/EP/BPBis(1-methylethyl) pertrisulfide
5943-34-02-(propan-2-yltrisulfanyl)propanebis(propan-2-yl)trisulfaneMFCD00040042DIISOPROPYLTRISULFIDEDi(propan-2-yl)trisulfane2-(isopropyltrisulfanyl)propaneSCHEMBL3503167
Database identifiers
- CAS
5943-34-0- PubChem CID
- 80046
- DTXSID
DTXSID50208155- UNII
- 4FQ8084070
- EC Number
- 227-703-7
- Nikkaji
- J223.901I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 53.3
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 79 °C/6.5mmHg · 79°C/6.5mmHg(lit.)
- Density
- 1.071 · 1.071±0.06 g/cm3(Predicted)
- FEMA
- 3968 · 3968 | DIISOPROPYL TRISULFIDE
- FLAVIS Number
- 12.28 · 12.280 | Diisopropyl trisulphide
- refractive index
- 1.536 · 1.5360-1.5400
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- Odor
- 0.1 % · at 0.10 % in propylene glycol. sulfurous garlic
- Odor Type
- sulfurous
- JECFA Number
- 1300 · 1300
- LogP
- 4.69 · 4.69
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
This chemical does not meet GHS hazard criteria for 100% (91 of 91) of all reports.
Not Classified
Aggregated GHS information provided per 91 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesNot Classified
Safety data
- hs_code
- 2930.90.9250
Chemistry & industry
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
OccurrenceReportedly found in onion and durian (Durio zibethinus)
Suppliers52 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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