Basic information
- CAS
880-36-4- Standard SMILES
CCCCCCCCc1cccs1- InChIKey
GIFWAJGKWIDXMY-UHFFFAOYSA-N- Molecular formula
- C12H20S
- Average molar mass
- 196.35 g/mol
- Monoisotopic mass
- 196.12857181
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-Octylthiophene
- IUPAC
- 2-octylthiophene
- English name
- 2-n-Octylthiophene
- Molecular formula
- C12H20S
- Molecular weight
- 196.35
Names & synonyms
2-n-Octylthiophene2-Octylthiophene880-36-4Thiophene, 2-octyl-DTXSID70236753RefChem:88442DTXCID00159244212-913-3MFCD00041015octylthiopheneEINECS 212-913-3SCHEMBL23407
Show more names
2-n-OctyL2-o-Octylthiophene2-n-Octylthiophene>2-n-Octylthiophene,98%2-n-Octylthiophene in isooctane2-N-OCTYLTHIOPHENE ISO 9001：2015 REACH
AKOS015839920AS-57000CS-0152265O0376D82005FT-0613229A842441SCHEMBL1285757
Database identifiers
- CAS
880-36-4- PubChem CID
- 70153
- DTXSID
DTXSID70236753- EC Number
- 212-913-3
- Nikkaji
- J102.171K
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 112
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Melting point
- -19.15 °C · -19.15°C (estimate)
- Boiling point
- 127 · 127-129°C 12mm
- Density
- 0.921 · 0.921
- refractive index
- 1.492 · 1.4920
- FLAVIS Number
- 15.093 · 15.093 | 2-Octylthiophene
- Flash point
- 127 · 127-129°C/12mm
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- Odor
- 1 % · at 1.00 % in dipropylene glycol. grassy musty
- Odor Type
- green
- BRN
- 114488 · 114488
- LogP
- 5.81 · 5.810 (est)
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 ClassificationNot Classified
Hazard information
Regulatory Information
Chemical: Thiophene, 2-octyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Thiophene, 2-octyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- hs_code
- 2934.99.9001
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers59 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
深圳睿迅光电材料科技有限公司0755-26718755; 15889762949 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州德元凯化工有限公司17837139533 · [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]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
Related reactions
4 records
Compound notes
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