Cas no 21370-71-8 (trans-1-Decalone)

Technical Introduction: trans-1-Decalone trans-1-Decalone (C??H??O) is a bicyclic ketone belonging to the decalin family, characterized by its trans-fused ring structure. This compound is widely utilized as an intermediate in organic synthesis, particularly in the production of fragrances, pharmaceuticals, and specialty chemicals. Its rigid trans-configuration imparts enhanced stability and distinct reactivity compared to its cis counterpart, making it valuable for stereoselective transformations. trans-1-Decalone exhibits low volatility and good solubility in common organic solvents, facilitating its handling in laboratory and industrial settings. Its well-defined structure also serves as a model system for studying ring conformations and reaction mechanisms in synthetic chemistry.

trans-1-Decalone structure

Product Name:trans-1-Decalone

CAS No:21370-71-8

MF:C₁₀H₁₆O

MW:152.233443260193

CID:270100

PubChem ID:24849624

Update Time:2025-06-06

trans-1-Decalone Chemical and Physical Properties

Names and Identifiers

- 1(2H)-Naphthalenone,octahydro-, (4aR,8aS)-rel-
- trans-1-Decalone
- 1-Decalone, trans-
- Octahydro-1(2H)-naphthalenone, (E)-
- Octahydro-2H-naphthalen-1-one, trans-
- trans-bicyclo(4.4.0)decan-1-one
- trans-Bicyclo[4.4.0]decan-2-one
- trans-Decalone-1
- trans-α-Decalone
- EINECS 244-352-5
- J-014015
- DTXSID301030742
- trans-Decahydro-1-naphthalenone
- REL-(4AR,8AS)-OCTAHYDRO-1(2H)-NAPHTHALENONE
- UNII-22P3A7D875
- 22P3A7D875
- (4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
- NS00120050
- starbld0016699
- trans-1-Decalone, 98%
- 21370-71-8
- SCHEMBL895510
- AFEFRXAPJRCTOW-BDAKNGLRSA-N
- 1(2H)-NAPHTHALENONE, OCTAHYDRO-, (4AR,8AS)-REL-
- AKOS024348816
- MDL： MFCD00064175
- Inchi： 1S/C10H16O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h8-9H,1-7H2/t8-,9+/m1/s1
- InChI Key： AFEFRXAPJRCTOW-BDAKNGLRSA-N
- SMILES： O=C1CCC[C@H]2CCCC[C@@H]21

Computed Properties

Exact Mass: 152.12018
Monoisotopic Mass: 152.12
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Heavy Atom Count: 11
Rotatable Bond Count: 0
Complexity: 162
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 2
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Surface Charge: 0
XLogP3: 2.6
Topological Polar Surface Area: 17.1

Experimental Properties

Color/Form: Not available
Density: 0.9860
Melting Point: 30-32?°C (lit.)
Boiling Point: 73?°C/1?mmHg(lit.)
Flash Point: Degrees Fahrenheit:195.8°F
Degrees Celsius:91°C
Refractive Index: 1.4849 (estimate)
PSA: 17.07
LogP: 2.54580
Solubility: Not available

trans-1-Decalone Security Information

Hazardous Material transportation number：NONH for all modes of transport
WGK Germany：3
Safety Instruction： 24/25
Safety Term：S24/25

trans-1-Decalone Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
TRC	D212353-50mg	trans-1-Decalone	21370-71-8		50mg	$190.00	2023-05-18
TRC	D212353-250mg	trans-1-Decalone	21370-71-8		250mg	$873.00	2023-05-18
TRC	D212353-500mg	trans-1-Decalone	21370-71-8		500mg	$1499.00	2023-05-18
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.	SA03354-1g	1(2H)-Naphthalenone,octahydro-, (4aR,8aS)-rel-	21370-71-8	98%	1g	￥1808.0	2024-07-18
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.	156655-1G	trans-1-Decalone	21370-71-8		1g	￥2600.12	2023-12-10
TRC	D212353-1g	trans-1-Decalone	21370-71-8		1g	$ 3000.00	2023-09-08
SHENG KE LU SI SHENG WU JI SHU	sc-237137-1 g	trans-1-Decalone,	21370-71-8		1g	￥1,241.00	2023-07-11
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