Basic information
- CAS
39707-47-6- Standard SMILES
C=CC(C)(S)CCC=C(C)C- InChIKey
PJZSIZBTDLXGEN-UHFFFAOYSA-N- Molecular formula
- C10H18S
- Average molar mass
- 170.32 g/mol
- Monoisotopic mass
- 170.11292175
Names & identifiers
- Preferred name
- 1,6-Octadiene-3-thiol, 3,7-dimethyl-
- IUPAC
- 3,7-dimethylocta-1,6-diene-3-thiol
- English name
- 3,7-dimethylocta-1,6-diene-3-thiol
- Molecular formula
- C10H18S
- Molecular weight
- 170.31492
Names & synonyms
Linalyl mercaptan39707-47-61,6-Octadiene-3-thiol, 3,7-dimethyl-EINECS 254-598-5DTXSID90885782RefChem:417726DTXCID4010251443,7-Dimethylocta-1,6-diene-3-thiolthiolinaloolVUV4CY4E7NSCHEMBL29208917PJZSIZBTDLXGEN-UHFFFAOYSA-N
Show more names
3,7-Dimethylocta-1,6-dien-3-thiol3,7-Dimethyl-1,6-octadiene-3-thiol
NS00058051
Database identifiers
- CAS
39707-47-6- PubChem CID
- 170239
- DTXSID
DTXSID90885782- UNII
- VUV4CY4E7N
- EC Number
- 254-598-5
- Nikkaji
- J261.434K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- LogP
- 4.45 · 4.450 (est)
- EPA Substance Registry System
- 1 · 1,6-Octadiene-3-thiol, 3,7-dimethyl- (39707-47-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,6-Octadiene-3-thiol, 3,7-dimethyl-: ACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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