Basic information
- CAS
629-45-8- Standard SMILES
CCCCSSCCCC- InChIKey
CUDSBWGCGSUXDB-UHFFFAOYSA-N- Molecular formula
- C8H18S2
- Average molar mass
- 178.4 g/mol
- Monoisotopic mass
- 178.08499258
Overview
Dibutyl disulfide is an organic disulfide.
Names & identifiers
- Preferred name
- Butyl disulfide
- IUPAC
- 1-(butyldisulfanyl)butane
- English name
- Butyl disulfide
- Molecular formula
- C8H18S2
- Molecular weight
- 178.36
Names & synonyms
DIBUTYL DISULFIDEButyl disulfide629-45-81-(Butyldisulfanyl)butaneDisulfide, dibutyln-Butyl disulfideZ77EF35C0QNSC-36626DTXSID8060874FEMA NO. 4577, DIBUTYL-RefChem:829365DTXCID3043576
Show more names
99.5%DBDS215kg190kg(n-C4H9S)2BUTYLDISULPHIDE1-BUTYLDISULFIDE
211-091-3Dibutyl disulphideDi-n-butyl disulfide5,6-DithiadecaneDibutyldisulfideMFCD000094671,2-dibutyldisulfane1-butyldisulfanyl-butane
Database identifiers
- CAS
629-45-8- PubChem CID
- 12386
- DTXSID
DTXSID8060874- ChEBI
CHEBI:169772- UNII
- Z77EF35C0Q
- EC Number
- 211-091-3
- Nikkaji
- J43.516C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 47.2
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Flavoring AgentsEU Flavoring substances
Boiling Point229.00 to 233.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Melting point
- 94 °C · −94 °C(lit.)
- Boiling point
- 229 · 229-233 °C(lit.)
- Density
- 0.938 g/mL · 0.938 g/mL at 25 °C(lit.)
- vapor pressure
- 52 mm · 52 mm Hg ( 37.7 °C)
- refractive index
- 20 · n20/D 1.492(lit.)
- FLAVIS Number
- 12.111 · 12.111 | Dibutyl disulfide
- Flash point
- 200 °F · 200 °F
- storage temp.
- 30 °C · Store below +30°C.
- form
- Liquid
- color
- Clear colorless to very slightly brown
- Odor
- sulfurous
- Odor Type
- sulfurous
- explosive limit
- 0.8 % · 0.8%(V)
- Odor Threshold
- 0.00021 ppm · 0.00021ppm
- Water Solubility
- Immiscible
- BRN
- 1735184 · 1735184
- InChI
- 1S/C8H18S2/c1-3-5-7-9-10-8-6-4-2/h3-8H2,1-2H3
- InChIKey
- CUDSBWGCGSUXDB-UHFFFAOYSA-N
- SMILES
- CCCCSSCCCC
- LogP
- 5.207 · 5.207 (est)
- CAS DataBase Reference
- 629 · 629-45-8(CAS DataBase Reference)
- FDA UNII
- 77 EF35C0Q · Z77EF35C0Q
- NIST Chemistry Reference
- Disulfide, dibutyl(629-45-8)
- EPA Substance Registry System
- Disulfide, dibutyl (629-45-8)
- UNSPSC Code
- 12352113 · 12352113
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-7/9-37/39
- RIDADR
- 2810 · 2810
- WGK Germany
- 3 · 3
- F
- 13 · 13
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- HS Code
- 29309070 · 29309070
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Disulfide, dibutyl
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Disulfide, dibutyl: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 13
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2810
- hs_code
- 29309070
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-7/9-37/39
- hazard_class
- 6.1(b)
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
General Manufacturing InformationDisulfide, dibutyl: ACTIVE
Upstream & downstream products
Downstream products
Suppliers100 total
三门峡奥科化工有限公司0398-3711988 13525866741 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
北京东华力拓科技发展有限公司010-88425576 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
石家庄斯迪亚诺精细化工有限公司0311-89250318 13582355795 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
广东大小化工有限公司1866-171603 18666171603 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
湖北世腾化工科技有限公司18971850150 19086915685 · [email protected]
荆州市尹杰化工有限公司18008658728 · [email protected]
上海玻尔化学试剂有限公司19102157732 · [email protected]
武汉裕清嘉衡药业有限公司027-83850122 13343472658 · [email protected]
Additional notes
DefinitionChEBI: Dibutyl disulfide is an organic disulfide.
Related reactions
5 records
Compound notes
Loading…