Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Esters  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Flavour & Fragrance  /  Essential oils and others
Naphthalene, 1,1'-(1,6-hexanediyl)bis- structure
Naphthalene, 1,1'-(1,6-hexanediyl)bis- structure

Naphthalene, 1,1'-(1,6-hexanediyl)bis-

Iupac Name:[(1S,3S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] acetate
CAS No.:125-12-2
Molecular Weight:196.28600
1. Names and Identifiers
1.1 Name
Naphthalene, 1,1'-(1,6-hexanediyl)bis-
1.2 CAS No.
125-12-2
1.3 CID
247573
1.4 Molecular Formula
C12H18 (isomer)
1.5 Inchi
InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12-/m1/s1
1.6 InChkey
KGEKLUUHTZCSIP-JFGNBEQYSA-N
1.7 Canonical Smiles
CC(=O)OC1CC2CCC1(C2(C)C)C
1.8 Isomers Smiles
CC(=O)O[C@H]1C[C@H]2CC[C@]1(C2(C)C)C
2. Properties
3.1 Density
0.9505 g/cm3
3.1 Melting point
29°C
3.1 Refractive index
n20/D 1.4635(lit.)
3.1 Vapour pressure
0.0959mmHg at 25°C
3.1 Precise Quality
196.14600
3.1 PSA
26.30000
3.1 logP
2.76430
3. Safety and Handling
4.1 Risk Statements
R36/37/38
4.1 Safety Statements
S26-S36/37/39
4.1 RIDADR
190kgs
4.1 WGK Germany
1
4.1 RTECS
NP7350000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:196.28600g/mol
  • Molecular Formula:C12H18
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:196.146329876
  • Monoisotopic Mass:196.146329876
  • Complexity:270
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:3
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
6. Question & Answer
7. Recommended Suppliers
Global143SuppliersView all >>
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
High quality Isobornyl acetate cas 125-12-2 with big discount
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kilogram
  • Time: 2022/05/05
Inquire
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply Isobornyl Acetate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/kilogram
  • Time: 2022/02/09
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
Isobornyl acetate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 2 USD/kilogram
  • Time: 2022/04/28
Inquire
  • Products:We ZERchem, facing global High-tech pharmaceutical raw materials, high value-added new type intermediates fine chemicals custom synthesis, scale-up production and rare chemicals trade.
  • Tel:+86-571-82512721
  • Email:sales@zeerrui.com
Isobornyl acetate manufacture
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2022/05/20
Inquire
  • Products:o-Phthalaldehyde, Methoxyammonium chloride. DMSO, NMP,
  • Tel:86-592-5360779
  • Email:sales@luyunjiachem.com
Iso Bornyl Acetate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kilogram
  • Time: 2022/05/20
Inquire