Basic information
- CAS
7278-65-1- Standard SMILES
CCC(C)(O)CCCC(C)CCCC(C)C- InChIKey
NUKWKMGANFONQP-UHFFFAOYSA-N- Molecular formula
- C15H32O
- Average molar mass
- 228.41 g/mol
- Monoisotopic mass
- 228.24531564
Names & identifiers
- Preferred name
- 3-Dodecanol, 3,7,11-trimethyl-
- IUPAC
- 3,7,11-trimethyldodecan-3-ol
- English name
- 3,7,11-trimethyldodecan-3-ol
- Molecular formula
- C15H32O
- Molecular weight
- 228.41398
Names & synonyms
3-Dodecanol, 3,7,11-trimethyl-7278-65-13,7,11-TRIMETHYL-3-DODECANOLEINECS 230-694-2DTXSID10864034RefChem:501093DTXCID4081258883377-04-2664-939-33,7,11-Trimethyldodecan-3-olHexahydronerolidolNerolidol, hexahydro-
Show more names
SCHEMBL37701273,7,11-Trimethyl-3-dodecanol #AKOS024335694DB-282999NS00044045ST50550760
Database identifiers
- CAS
7278-65-1、83377-04-2- PubChem CID
- 23701
- DTXSID
DTXSID10864034- EC Number
- 230-694-2、664-939-3
- Nikkaji
- J38.006G
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 111 · 111-112 °C(Press: 1.5 Torr)
- Density
- 0.8379 g/cm3 · 0.8379 g/cm3
- pka
- 15.32 · 15.32±0.29(Predicted)
- EPA Substance Registry System
- 3 · 3-Dodecanol, 3,7,11-trimethyl- (7278-65-1)
- 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.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 3-Dodecanol, 3,7,11-trimethyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Dodecanol, 3,7,11-trimethyl-: INACTIVE
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
扬州瑞宏生物科技有限公司15380367604; 15380367604 · [email protected]
Related reactions
1 records
Compound notes
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