3,3,5,5-Tetramethylcyclohexanone

HCID 84399
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Basic information

CAS
14376-79-5
Standard SMILES
CC1(C)CC(=O)CC(C)(C)C1
InChIKey
OQJMHUOCLRCSED-UHFFFAOYSA-N
Molecular formula
C10H18O
Average molar mass
154.25 g/mol
Monoisotopic mass
154.13576519

Names & identifiers

Preferred name
3,3,5,5-Tetramethylcyclohexanone
IUPAC
3,3,5,5-tetramethylcyclohexan-1-one
English name
3,3,5,5-TETRAMETHYLCYCLOHEXANONE
Molecular formula
C10H18O
Molecular weight
154.25

Names & synonyms

3,3,5,5-Tetramethylcyclohexanone14376-79-5Cyclohexanone, 3,3,5,5-tetramethyl-EINECS 238-350-3DTXSID20162538NSC 91511RefChem:90750DTXCID1085029238-350-3InChI=1/C10H18O/c1-9(2)5-8(11)6-10(3,4)7-9/h5-7H2,1-4HOQJMHUOCLRCSED-UHFFFAOYSA-N3,3,5,5-tetramethylcyclohexan-1-one
Show more names
3,3,5,5-Tetramethyl-1-cyclohexanone3,3,5,5-tetramethylcyclohexylone3,3,5,5-TetraMethylcyclohexanone 98%3,3,5,5-Tetramethylcyclohexanone,98%
MFCD000016403,3,5,5-Tetramethyl cyclohexanone3,3,5,5-tetramethyl-cyclohexanoneNSC91511NSC 91511;Cyclohexanone,3,3,5,5-tetramethyl-SCHEMBL638075SCHEMBL8051733

Database identifiers

CAS
14376-79-5
PubChem CID
84399
DTXSID
DTXSID20162538
EC Number
238-350-3
Nikkaji
J142.889F

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
11

Physicochemical properties

Melting point
11 · 11-12 °C
Boiling point
200 · 200-203 °C
Density
0.881 g/mL · 0.881 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.451(lit.)
Flash point
164 °F · 164 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (50%)

Safety data

PPE
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk
3
hs_code
29142990
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
23-24/25

Chemistry & industry

Applications

Uses3,3,5,5-Tetramethylcyclohexanone (cas# 14376-79-5) is a useful research chemical and a pharmaceutical intermediate.

Upstream & downstream products

Suppliers66 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

Related reactions

96 records
New reaction record

Compound notes

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