HYDROXYPROPYL CELLULOSE
Relevant Data
Food Additives Approved in the United States
Food Additives Approved by European Union:
General Information
| Synonyms: | CELLULOSE HYDROXYPROPYL ETHER |
| Chemical Names: | HYDROXYPROPYL ETHER OF CELLULOSE; CELLULOSE HYDROXYPROPYL ETHER |
| CAS number: | 9004-64-2 |
| INS: | 463 |
| Functional Class: |
Food Additives EMULSIFIER STABILIZER THICKENER GLAZING_AGENT |
From apps.who.int
Evaluations
| Evaluation year: | 1989 |
| ADI: | NOT SPECIFIED |
| Meeting: | 35 |
| Specs Code: | S |
| Comments: | Group ADI for modified celluloses: ethyl cellulose, ethyl hydroxyethyl cellulose, hydroxypropyl cellulose, hydroxypropylmethyl cellulose, methyl cellulose, methyl ethyl cellulose, and sodium carboxymethyl cellulose |
| Report: | TRS 789-JECFA 35/24 |
| Tox Monograph: | FAS 26-JECFA 35/85 |
| Specification: | COMPENDIUM ADDENDUM 12/FNP 52 Add. 12/25 (2004). R; FAO JECFA Monographs 1 vol.2/195 |
From apps.who.int
GSFA Provisions for HYDROXYPROPYL CELLULOSE
| Number | Food Category | Max Level | Notes |
|---|---|---|---|
| 14.1.5 | Coffee, coffee substitutes, tea, herbal infusions, and other hot cereal and grain beverages, excluding cocoa |
GMP | Note 160 |
| 09.2.4.1 | Cooked fish and fish products |
GMP | Note 325,Note 16 |
| 09.2.4.2 | Cooked mollusks, crustaceans, and echinoderms |
GMP | Note 16 |
| 01.2.1.2 | Fermented milks (plain), heat-treated after fermentation |
GMP | Note 234 |
| 08.1.2 | Fresh meat, poultry, and game, comminuted |
GMP | Note 281 |
| 08.1.1 | Fresh meat, poultry, and game, whole pieces or cuts |
GMP | Note 16,Note 326 |
| 09.2.4.3 | Fried fish and fish products, including mollusks, crustaceans, and echinoderms |
GMP | Note 332,Note 325,Note 41 |
| 09.2.2 | Frozen battered fish, fish fillets, and fish products, including mollusks, crustaceans, and echinoderms |
GMP | Note 332,Note 63 |
| 09.2.1 | Frozen fish, fish fillets, and fish products, including mollusks, crustaceans, and echinoderms |
GMP | Note XS191,Note XS92,Note XS165,Note XS315,Note XS292,Note XS312,Note XS36,Note XS190,Note 16,Note XS95 |
| 09.2.3 | Frozen minced and creamed fish products, including mollusks, crustaceans, and echinoderms |
GMP | Note 16 |
| 11.4 | Other sugars and syrups (e.g. xylose, maple syrup, sugar toppings) |
GMP | Note 258 |
| 01.4.1 | Pasteurized cream (plain) |
GMP | Note 236 |
| 09.2.5 | Smoked, dried, fermented, and/or salted fish and fish products, including mollusks, crustaceans, and echinoderms |
GMP | Note 332,Note 300 |
From www.fao.org
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 123706 |
| IUPAC Name | 4-(1-aminopropyl)-N,N,3-trimethylaniline |
| InChI | InChI=1S/C12H20N2/c1-5-12(13)11-7-6-10(14(3)4)8-9(11)2/h6-8,12H,5,13H2,1-4H3 |
| InChI Key | RRHXDYJWVYFMKV-UHFFFAOYSA-N |
| Canonical SMILES | CCC(C1=C(C=C(C=C1)N(C)C)C)N |
| Molecular Formula | C12H20N2 |
| Wikipedia | Hydroxypropyl cellulose |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 192.306 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Complexity | 168.0 |
| CACTVS Substructure Key Fingerprint | A A A D c e B z A A A A A A A A A A A A A A A A A A A A A A A A A A A w A A A A A A A A A A A B A A A A H A A Q A A A A D C j B G A Q y w I N A A A C A A i R C Q A C C A A A h A g A I i I A I Z I g I I C L A k Z G E I A h g k A B I y A c Q g I A O i A A A Q A A Q A A A Q A A C A A C A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 29.3 |
| Monoisotopic Mass | 192.163 |
| Exact Mass | 192.163 |
| XLogP3 | None |
| XLogP3-AA | 2.2 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
From Pubchem
ADMET Predicted Profile --- Classification
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.9196 |
| Human Intestinal Absorption | HIA+ | 0.9753 |
| Caco-2 Permeability | Caco2+ | 0.7284 |
| P-glycoprotein Substrate | Non-substrate | 0.6066 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.8533 |
| Non-inhibitor | 0.9553 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.8160 |
| Distribution | ||
| Subcellular localization | Lysosome | 0.7644 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8406 |
| CYP450 2D6 Substrate | Substrate | 0.7265 |
| CYP450 3A4 Substrate | Non-substrate | 0.5709 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.5657 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.8856 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.7947 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.8053 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.8875 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.6084 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9550 |
| Non-inhibitor | 0.6031 | |
| AMES Toxicity | AMES toxic | 0.6754 |
| Carcinogens | Carcinogens | 0.6028 |
| Fish Toxicity | High FHMT | 0.7172 |
| Tetrahymena Pyriformis Toxicity | High TPT | 0.6086 |
| Honey Bee Toxicity | Low HBT | 0.8036 |
| Biodegradation | Not ready biodegradable | 0.9896 |
| Acute Oral Toxicity | II | 0.6040 |
| Carcinogenicity (Three-class) | Non-required | 0.4844 |
From admetSAR
ADMET Predicted Profile --- Regression
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -2.5278 | LogS |
| Caco-2 Permeability | 1.4282 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 2.9150 | LD50, mol/kg |
| Fish Toxicity | 1.2959 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | 0.2455 | pIGC50, ug/L |
From admetSAR