Basic information
- CAS
38237-00-2- Standard SMILES
CC(C)=CCCC(C)=CCS- InChIKey
FACAUSJJVBMWLV-UHFFFAOYSA-N- Molecular formula
- C10H18S
- Average molar mass
- 170.32 g/mol
- Monoisotopic mass
- 170.11292175
Overview
See also: Thiogeraniol (annotation moved to).
Names & identifiers
- Preferred name
- 3,7-Dimethylocta-2,6-diene-1-thiol
- IUPAC
- 3,7-dimethylocta-2,6-diene-1-thiol
Names & synonyms
3,7-Dimethylocta-2,6-diene-1-thiolRefChem:487737253-845-438237-00-22,6-Octadiene-1-thiol, 3,7-dimethyl-, (2E)-SCHEMBL1472304FACAUSJJVBMWLV-UHFFFAOYSA-N3,7-dimethylocta-2,6-dienylmercaptanDB-262006NS00020084
Database identifiers
- CAS
38237-00-2- PubChem CID
- 61983
- DTXSID
DTXSID9068081- EC Number
- 253-845-4
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 150
Experimental & physicochemical properties
FragrancesFragrance Ingredient (2,6-Octadiene-1-thiol, 3,7-dimethyl-) -> IFRA transparency List
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 114 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 2,6-Octadiene-1-thiol, 3,7-dimethyl-
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 1 consumer products that contain 2,6-Octadiene-1-thiol, 3,7-dimethyl- in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information2,6-Octadiene-1-thiol, 3,7-dimethyl-: ACTIVE
Related reactions
3 records
Compound notes
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