PHL89591
Caffeine
phyproof® Reference Substance
Manufacturer: Sigma Aldrich
CAS Number: 58-08-2
Synonym(S): 1,3,7-Trimethylxanthine
Select a Size
| Pack Size | SKU | Availability | Price |
|---|---|---|---|
| 100 MG | PHL89591-100-MG | In Stock | ₹ 28,047.58 |
PHL89591 - 100 MG
In Stock
Quantity
1
Base Price: ₹ 28,047.58
GST (18%): ₹ 5,048.564
Total Price: ₹ 33,096.144
grade
primary reference standard
product line
phyproof® Reference Substance
Assay
≥98.0% (HPLC)
manufacturer/tradename
PhytoLab
mp
234-236.5 °C (lit.)
application(s)
food and beverages
format
neat
SMILES string
CN1C(=O)N(C)c2ncn(C)c2C1=O
InChI
1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
InChI key
RYYVLZVUVIJVGH-UHFFFAOYSA-N
Other Options
Description
- General description: This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG
- Legal Information: phyproof is a registered trademark of PhytoLab GmbH & Co. KG
SAFETY INFORMATION
Pictograms
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral
WGK
WGK 1
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Compare Similar Items
Show Difference
grade: primary reference standard
product line: phyproof® Reference Substance
Assay: ≥98.0% (HPLC)
manufacturer/tradename: PhytoLab
mp: 234-236.5 °C (lit.)
application(s): food and beverages
format: neat
SMILES string: CN1C(=O)N(C)c2ncn(C)c2C1=O
InChI: 1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
InChI key: RYYVLZVUVIJVGH-UHFFFAOYSA-N
grade:
primary reference standard
product line:
phyproof® Reference Substance
Assay:
≥98.0% (HPLC)
manufacturer/tradename:
PhytoLab
mp:
234-236.5 °C (lit.)
application(s):
food and beverages
format:
neat
SMILES string:
CN1C(=O)N(C)c2ncn(C)c2C1=O
InChI:
1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
InChI key:
RYYVLZVUVIJVGH-UHFFFAOYSA-N
grade: primary reference standard
product line: phyproof® Reference Substance
Assay: ≥90.0% (HPLC)
manufacturer/tradename: PhytoLab
mp: 260 °C (dec.) (lit.)
application(s): __
format: __
SMILES string: CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O
InChI: 1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
InChI key: VSJKWCGYPAHWDS-FQEVSTJZSA-N
grade:
primary reference standard
product line:
phyproof® Reference Substance
Assay:
≥90.0% (HPLC)
manufacturer/tradename:
PhytoLab
mp:
260 °C (dec.) (lit.)
application(s):
__
format:
__
SMILES string:
CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O
InChI:
1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
InChI key:
VSJKWCGYPAHWDS-FQEVSTJZSA-N
grade: primary reference standard
product line: phyproof® Reference Substance
Assay: ≥98.0% (GC)
manufacturer/tradename: PhytoLab
mp: 215-217 °C (lit.)
application(s): food and beverages
format: neat
SMILES string: C[C@]12C3CCC(O3)[C@@]1(C)C(=O)OC2=O
InChI: 1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-
InChI key: DHZBEENLJMYSHQ-XCVPVQRUSA-N
grade:
primary reference standard
product line:
phyproof® Reference Substance
Assay:
≥98.0% (GC)
manufacturer/tradename:
PhytoLab
mp:
215-217 °C (lit.)
application(s):
food and beverages
format:
neat
SMILES string:
C[C@]12C3CCC(O3)[C@@]1(C)C(=O)OC2=O
InChI:
1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-
InChI key:
DHZBEENLJMYSHQ-XCVPVQRUSA-N
grade: primary reference standard
product line: phyproof® Reference Substance
Assay: ≥90.0% (HPLC)
manufacturer/tradename: PhytoLab
mp: __
application(s): food and beverages
format: neat
SMILES string: O[C@H](C1)CC[C@@]2(C)C1=CC[C@]3(O)[C@]2([H])C[C@@H](OC(/C=C(C)/C(C)C)=O)[C@@]4(C)[C@@]3(CC[C@]4(C(C)=O)O)O
InChI: 1S/C28H42O7/c1-16(2)17(3)13-23(31)35-22-15-21-24(5)9-8-20(30)14-19(24)7-10-27(21,33)28(34)12-11-26(32,18(4)29)25(22,28)6/h7,13,16,20-22,30,32-34H,8-12,14-15H2,1-6H3/b17-13+/t20-,21+,22+,24-,25+,26-,27-,28+/m0/s1
InChI key: VWLXIXALPNYWFH-UBHIOMQOSA-N
grade:
primary reference standard
product line:
phyproof® Reference Substance
Assay:
≥90.0% (HPLC)
manufacturer/tradename:
PhytoLab
mp:
__
application(s):
food and beverages
format:
neat
SMILES string:
O[C@H](C1)CC[C@@]2(C)C1=CC[C@]3(O)[C@]2([H])C[C@@H](OC(/C=C(C)/C(C)C)=O)[C@@]4(C)[C@@]3(CC[C@]4(C(C)=O)O)O
InChI:
1S/C28H42O7/c1-16(2)17(3)13-23(31)35-22-15-21-24(5)9-8-20(30)14-19(24)7-10-27(21,33)28(34)12-11-26(32,18(4)29)25(22,28)6/h7,13,16,20-22,30,32-34H,8-12,14-15H2,1-6H3/b17-13+/t20-,21+,22+,24-,25+,26-,27-,28+/m0/s1
InChI key:
VWLXIXALPNYWFH-UBHIOMQOSA-N