Basic information
- CAS
15647-11-7- Standard SMILES
CC1(C)CC(O)CC(C)(CN)C1- InChIKey
YFEAYNIMJBHJCM-UHFFFAOYSA-N- Molecular formula
- C10H21NO
- Average molar mass
- 171.28 g/mol
- Monoisotopic mass
- 171.16231429
Names & identifiers
- Preferred name
- Cyclohexanol, 3-(aminomethyl)-3,5,5-trimethyl-
- IUPAC
- 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-ol
- English name
- 3-aminomethyl-3,5,5-trimethylcyclohexan-1-ol
- Molecular formula
- C10H21NO
- Molecular weight
- 171.28
Names & synonyms
15647-11-73-Aminomethyl-3,5,5-trimethylcyclohexanolCyclohexanol, 3-(aminomethyl)-3,5,5-trimethyl-3-(aminomethyl)-3,5,5-trimethylcyclohexanol3-Aminomethyl-3,5,5-trimethylcyclohexan-1-olEINECS 239-717-0DTXSID30864612RefChem:580660DTXCID80813110239-717-03-(aminomethyl)-3,5,5-trimethylcyclohexan-1-olSCHEMBL196497
Show more names
3,5,5-Trimethyl-3-(aminomethyl)cyclohexanol3-Aminomethyl-3,5,5-trimethylcyclohexanol,99%3-AMINOMETHYL-3,5,5-TRIMETHYL-CYCLOHEXANOL, MIXTURE OF CIS AND TRANS3-AMINOMETHYL-3,5,5-TRIMETHYLCYCLOHEXANO L, 99%, MIXTURE OF CIS AND TRANS
SCHEMBL3163962AKOS024287543ST100771DB-182813NS00052348
Database identifiers
- CAS
15647-11-7- PubChem CID
- 85889
- DTXSID
DTXSID30864612- EC Number
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 45.5 °C · 45.5°C
- Boiling point
- 301.29 °C · 301.29°C (rough estimate)
- Density
- 0.969 · 0.9690
- vapor pressure
- 8.9 Pa · 8.9Pa at 20℃
- refractive index
- 1.4904 · 1.4904
- pka
- 15.23 · 15.23±0.60(Predicted)
- Water Solubility
- 528.1 g/L · 528.1g/L at 20℃
- LogP
- 0.96 at · 0.96 at 20℃
- EPA Substance Registry System
- 3 · Cyclohexanol, 3-(aminomethyl)-3,5,5-trimethyl- (15647-11-7)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H317
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- 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
Warning
H315 (97.5%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 3-aminomethyl-3,5,5-trimethylcyclohexan-1-ol (EC: 239-717-0)
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H314-H317
- REACH Registrations
- Active
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanol, 3-(aminomethyl)-3,5,5-trimethyl-: ACTIVE
Suppliers2 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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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