Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Agrochemical Intermediates  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Custom Manufacturing  /  Pharmaceutical
α-Guaiene-D7 structure
α-Guaiene-D7 structure

α-Guaiene-D7

Iupac Name:oxane-2,6-dione
CAS No.:108-55-4
Molecular Weight:114.1
1. Names and Identifiers
1.1 Name
α-Guaiene-D7
1.2 CAS No.
108-55-4
1.3 CID
7940
1.4 Molecular Formula
C63H92N2O22 (isomer)
1.5 Inchi
InChI=1S/C5H6O3/c6-4-2-1-3-5(7)8-4/h1-3H2
1.6 InChkey
VANNPISTIUFMLH-UHFFFAOYSA-N
1.7 Canonical Smiles
C1CC(=O)OC(=O)C1
1.8 Isomers Smiles
C1CC(=O)OC(=O)C1
2. Properties
3.1 Melting point
55-57℃
3.1 Refractive index
1.463
3.1 Vapour pressure
0.00255mmHg at 25°C
3.1 Precise Quality
114.03200
3.1 PSA
43.37000
3.1 logP
0.24010
3. Safety and Handling
4.1 Risk Statements
R21/22;R36/37/38
4.1 Safety Statements
S26;S36/37/39
4.1 Packing Group
4.1 Hazard Class
8
4.1 RIDADR
25kgs
4.1 WGK Germany
3
4.1 RTECS
MA3850000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Other Information
5.0 Uses
Deuterium labelled analog of α-Guaiene, which is a sesquiterpene and an essential oil component, shown to have antimicrobial activity.
6. Computational chemical data
  • Molecular Weight:114.1g/mol
  • Molecular Formula:C63H92N2O22
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.1
  • Exact Mass:114.031694049
  • Monoisotopic Mass:114.031694049
  • Complexity:114
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:43.4
  • Heavy Atom Count:8
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
7. Recommended Suppliers
Global169SuppliersView all >>
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
Glutaric anhydride
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/04/28
Inquire
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
Glutaric anhydride suppliers in ChinaCAS NO.: 108-55-4
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/05/19
Inquire
  • Products:biotechnology pharmaceutical intermediates biotechnology medical intermediates
  • Tel:0086-0310-15343106358
  • Email:guide@cnyouze.com
oxane-2,6-dione CAS:108-55-4 Brand:YOUZE
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 5 USD/kg
  • Time: 2022/04/15
Inquire
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply Glutaric anhydride
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/kilogram
  • Time: 2022/03/06
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:sales7@crovellbio.com
Glutaric anhydride CAS 108-55-4 Pentanedioic anhydride
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/05/05
Inquire