caffeine carboxylic acid

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2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid

CAS: 652-37-9 C9 H10 N4 O4 MW: 238.20350000
All Ingredients CAS Numbers EINECS Numbers

Identification

Namecaffeine carboxylic acid
CAS Number652-37-9
EINECS211-490-2
FDA UNIIM494UE2YEP
Molecular FormulaC9 H10 N4 O4
Molecular Weight238.20350000
MDL NumberMFCD00022832
Nikkaji NumberJ7.075K
Beilstein0279221
XlogP3-0.80 (est)

Regulatory

Physical Properties

Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Boiling Point 555.70 °C. @ 760.00 mm Hg (est)
Flash Point 554.00 °F. TCC ( 289.90 °C. ) (est)
logP (o/w) -0.490 (est)
Soluble in water, 1030 mg/L @ 25 °C (exp)

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesskin conditioning

No sensory data available

Safety Information

Preferred SDSView
Oral/Parenteral Toxicityintraperitoneal-mouse LD50 1180 mg/kg
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categorycosmetic ingredient for skin conditioning
Recommendation for caffeine carboxylic acid usage levels up tonot for fragrance use.
Recommendation for caffeine carboxylic acid flavor usage levels up tonot for flavor use.

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652-37-9 Theophylline 7-Acetic Acid > 95%
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Potential Uses

None Found

Natural Occurrence

not found in nature

Synonyms

acefylline acephylline 7-( carboxymethyl)theophylline (1,3- dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetic acid (1,3- dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetic acid 2-(1,3- dimethyl-2,6-dioxo-1,3,7-trihydropurin-7-yl)acetic acid 2-(1,3- dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid 2-(1,3- dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetic acid 2-(1,3- dimethyl-2,6-dioxopurin-7-yl)acetic acid 1,3- dimethylxanthin-7-ylacetic acid 1,3- dimethylxanthine-7-acetic acid purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- 7H- purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- 7H- purine-7-acetic acid, 1,2,3,6, -tetrahydro-1,3-dimethyl-2,6-dioxo- 1,2,3,6- tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetic acid 1,2,3,6- tetrahydro-1,3-dimethyl-2,6-dioxopurine-7-acetic acid theophyllin-7-ylacetic acid theophylline-7-acetic acid theophylline-7-aceticacid theophylline-7acetic acid theophyllineacetic acid 7- theophyllineacetic acid 7- theophyllinylacetic acid Try the PubMed Search.