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RESORCINOL MONOBENZOATE structure

RESORCINOL MONOBENZOATE
  • CAS：136-36-7
  • MW:214.22
  • MF：C13H10O3
Noncoloring UV inhibitor for various plastics,color stabilizer in cosmetic compositions.
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1. Names and Identifiers
1.1 Name
RESORCINOL MONOBENZOATE
1.2 Synonyms
(3-Hydroxyphenyl) Benzoate; 1,3-Benzenediol,monobenzoate; 3-Hydroxyphenyl Benzoate; Benzoic Acid 3-Hydroxyphenyl Ester; Benzoic Acid 3-Hydroxyphenyl Ester Resorcinol Monobenzoate; Benzoic acid resorcinol ester; Benzoic acid, m-hydroxyphenyl ester; benzoicacid,m-hydroxyphenylester; Eastman Inhibitor RMB; EINECS 205-241-7; MFCD00020118; WLN: QR COVR;
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1.3 CAS No.
136-36-7
1.4 CID
8690
1.5 EINECS
205-241-7
1.6 Molecular Formula
C13H10O3
1.7 Inchi
InChI=1S/C13H10O3/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h1-9,14H
1.8 InChkey
GDESWOTWNNGOMW-UHFFFAOYSA-N
1.9 Canonical Smiles
C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)O
1.10 Isomers Smiles
C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)O
2. Properties
2.1 Appearance
White to Yellow to Orange powder to crystal
2.2 Storage
Ambient temperatures.
2.3 Chemical Properties
white fine crystalline powder
2.4 pKa
9.12±0.10(Predicted)
3. Use and Manufacturing
3.1 Description
Resorcinol monobenzoate (CAS 136-36-7) is a chemical compound that appears as a white crystalline powder. Its basic structure consists of a resorcinol molecule with a benzoate group attached. This compound is soluble in organic solvents such as ethanol and acetone, but has limited solubility in water. Resorcinol monobenzoate has physical properties that include a melting point of approximately 120-122°C and a boiling point of around 350°C. It is also known to have a characteristic odor.

Applicable Fields
Resorcinol monobenzoate has various applications in different fields:

1. Cosmetics: In the cosmetics industry, resorcinol monobenzoate is used as a skin-lightening agent. It helps to reduce the appearance of hyperpigmentation and uneven skin tone. The mechanism of action involves inhibiting the production of melanin, the pigment responsible for skin coloration.

2. Pharmaceuticals: Resorcinol monobenzoate is also utilized in pharmaceutical formulations. It can be found in topical medications for the treatment of skin conditions such as acne and psoriasis. The mechanism of action involves its anti-inflammatory and antimicrobial properties, which help to reduce inflammation and combat bacterial growth.

Storage Conditions
The recommended storage conditions for resorcinol monobenzoate are in a cool and dry place, away from direct sunlight.
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3.2 GHS Classification
Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 39 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (28.21%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (74.36%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (69.23%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
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3.3 Usage
Noncoloring UV inhibitor for various plastics,color stabilizer in cosmetic compositions.
4. Safety and Handling
4.1 Report

Reported in EPA TSCA Inventory.

4.2 Safety

Safety Information of 3-Hydroxyphenyl benzoate (136-36-7):
Hazard Codes: Xn
Risk Statements: 22-36/37/38
22: Harmful if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
WGK Germany: 3
RTECS: VH2800000
Poison by intraperitoneal route. Moderately toxic by ingestion. A skin and eye irritant. When heated to decomposition it emits acrid smoke and fumes. See also ESTERS.

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4.3 Specification

  3-Hydroxyphenyl benzoate (136-36-7) is white crystalline powder, known as Resorcinol monobenzoate ; 4-09-00-00372 (Beilstein Handbook Reference) ; Benzoic acid, m-hydroxyphenyl ester ; Eastman Inhibitor RMB ; NSC 4807 ; Resorcinol monobenzoate ; 1,3-Benzenediol, 1-benzoate ; 1,3-Benzenediol, monobenzoate ; Resorcinol, monobenzoate . It is incompatible with strong oxidizing agents. When heated to decomposition, it yields Carbon monoxide, Carbon dioxide .

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4.4 Toxicity
1.    

eye-rbt 5% MILD

     JAPMA8    Journal of the American Pharmaceutical Association, Scientific Edition. 46 (1957),185.
2.    

skn-gpg 500 mg MOD

     KODAK*    Kodak Company Reports. (343 State St., Rochester, NY 14650) #906511 .
3.    

orl-rat LD50:1600 mg/kg

     KODAK*    Kodak Company Reports. (343 State St., Rochester, NY 14650) #906511 .
4.    

ipr-rat LD50:400 mg/kg

     14CYAT    Industrial Hygiene and Toxicology 2 (1963),1897.
5.    

ipr-mus LD50:710 mg/kg

     JAPMA8    Journal of the American Pharmaceutical Association, Scientific Edition. 46 (1957),185.
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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation
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.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

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.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum
13C NMR : in DMSO-d6  
1H NMR : 400 MHz in DMSO-d6  
IR : KBr disc  
IR : nujol mull  
Raman : 4880 A,200 M,powder  
Mass  
7. Synthesis Route
136-36-7Total: 11 Synthesis Route
 
94-01-9
94-01-9 22 Suppliers
 
136-36-7
136-36-7 20 Suppliers
 
50-00-0
50-00-0 58 Suppliers
 
136-36-7
136-36-7 20 Suppliers
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8. Precursor and Product
precursor:
94-01-9
94-01-9
98-88-4
98-88-4
50-00-0
50-00-0
93-99-2
93-99-2
110-86-1
110-86-1
7732-18-5
7732-18-5
108-46-3
108-46-3
product:
3769-41-3
3769-41-3
163419-05-4
163419-05-4
5455-84-5
5455-84-5
1616-51-9
1616-51-9
68792-12-1
68792-12-1
3163-07-3
3163-07-3
331746-00-0
331746-00-0
24988-36-1
24988-36-1
118163-40-9
118163-40-9
61524-51-4
61524-51-4
9. Computed Properties
10.Other Information
Chemical Properties
white fine crystalline powder
Uses
Noncoloring UV inhibitor for various plastics, color stabilizer in cosmetic compositions.
Uses
Resorcinol monobenzoate is used as an ultraviolet stabilizer in certain types of plastic films.
Uses
Resorcinol monobenzoate is used as UV-light absorber added mainly to outdoor plastics; additive in spectacle frames.
Synthesis Reference(s)
The Journal of Organic Chemistry, 41, p. 3419, 1976 DOI: 10.1021/jo00883a020
11. Toltal 20 Suppliers View more
Factory Supply Resorcinol monobenzoate
Amitychem Corporation
 1YR   China
Tel: Update Time:2023/06/28
inquire
3-Hydroxyphenyl Benzoate
Dayang Chem (Hangzhou) Co., Ltd.
 1YR   China
Tel: Update Time:2024/06/17
inquire
Resorcinol Monobenzoate
Nanjing Chemlin Chemical Co., Ltd.
  China
Tel: Update Time:2024/03/04
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Benzoic Acid 3-Hydroxyphenyl Ester
Ningbo Puls Chemical Co., Ltd
China
Tel: Update Time:2019/02/25
inquire
CSR081605-61704
Antimex Chemical Limied
China
Tel: Update Time:2019/02/24
inquire
12. Realated Product Infomation
 
1. Names and Identifiers
2. Properties
3. Use and Manufacturing
4. Safety and Handling
5. Msds
6. NMR Spectrum
7. Synthesis Route
8. Precursor and Product
9. Computational chemical data
10. Other Information
11. Toltal 20 Suppliers
12. Realated Product Infomation
 
 
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