Vanillin 121-33-5

Chemical Name	Vanillin
CAS Registry Number	121-33-5
PubChemID	1183
Molecular Weight	152.14732
PSA	46.53000
LogP	1.21330
EINECS	204-465-2
Molecular Formula	C₈H₈O₃

Aliases

2-Methoxy-4-formylphenol

3-Methoxy-4-hydroxybenzaldehyde (vanillin)

4-Formyl-2-methoxyphenol

Protocatechualdehyde, methyl-

Vanillin 97+%

Vanillin cas:121-33-5

Vanillin NAT

Vanillin Powder

121-33-5 Structure

Chemical Properties
Safety Infomation
NMR Specturm
Synthesis Route
Supplier List724

121-33-5 Properties

Density 1.06

Boiling Point 170℃ (15 mmHg)

Flash Point 147℃

Melting Point 81-84℃

Appearance White or very slightly yellow needles

Vapour 0.00194mmHg at 25°C

Refractive Index 1.555

Solubility methanol: 0.1 g/mL, clear

Color/Form White to pale yellow

Stability Stable. May discolour on exposure to light. Moisture-sensitive. Incompatible with strong oxidizing agents, perchloric acid.

HS Code 29124100

Storage temp Store in a cool, dry place. Store protected from moisture. Store protected from light.

Spectral properties MAX ABSORPTION (ALCOHOL): 279 NM (LOG E= 4.01); 309 NM (LOG E= 4.02)
SADTLER REFERENCE NUMBER: 8703 (IR, PRISM)
MAX ABSORPTION (0.1 N HYDROCHLORIC ACID): 247 NM, 309 NM
IR: 2530 (Coblentz Society Spectral Collection)
UV: 3-153 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York)
NMR: 197 (Varian Associates NMR Spectra Catalogue)
MASS: 905 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)
NMR: 107 (Varian Associates NMR Spectra Catalogue)

121-33-5 Safety Infomation

Safety Statements S22;S24/25

Risk Statements R22

Hazard Codes Xn

Safety
Hazard Codes: Xn,Xi
Risk Statements:?22-36/37/38
22:?Harmful if swallowed
36/37/38:?Irritating to eyes, respiratory system and skin
Safety Statements:?24/25-22-37/39-26
24/25:?Avoid contact with skin and eyes?
22: Do not breathe dust?
37/39:?Wear suitable gloves and eye/face protection?
26:?In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany:? 1
RTECS: YW5775000
HS Code: 29124100

Toxicity LD50 orally in rats, guinea pigs: 1580, 1400 mg/kg (Jenner)

Sensitive Air & Light Sensitive

Skin, Eye, and Respiratory Irritations ...highly irritating action on the eyes and mucous membranes of the respiratory tract. /Aldehydes/

Cleanup Methods SORPTION OCCURRED ON DISSOCIATED MG IONS, FORMING INSOL CHEMISORB PRODUCTS. SORPTION OF VANILLIN & VANILLIC ALC DIFFER DUE TO DIFFERENCE IN ELECTRON TRANSFERENCE.

Fire Potential FLAMMABILITY PROPERTIES OF SOME SYNTHETIC FRAGRANT SUBSTANCES & INTERMEDIATE PRODUCTS.

Formulations/Preparations Grades: Technical, USP, FCC
NF/FCC crystal grades

Exposure Standards and Regulations Synthetic flavoring substances and adjuvants /for human consumption/ that are generally recognized as safe for their intended use, withn the meaning of section 409 of the Act. Vanillin is included on this list.
Substances migrating to food from paper and paperboard products used in food packaging that are generally recognized as safe for their intended use, within section 409 of the Act. Vanillin is included on this list.

Reactivities and Incompatibilities A VIOLENT REACTION OCCURRED WHEN SMALL AMT OF VANILLIN WAS ADDED TO THALLIUM TRINITRATE TRIHYDRATE (UP TO 50%) IN 90% FORMIC ACID.
Can react violently with Br2; HClO4; potassium-tert-butoxide; tert-chlorobenzene + NaOH; formic acid + thallium nitrate.

Other Preventative Measures SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

Protective Equipment and Clothing ...highly irritating action on the eyes and mucous membranes of the respiratory tract. /Aldehydes/

Specification
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Dangerous fire hazard in the form of dust when exposed to heat or flame.
Extinguishing Media: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.?
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage: Store in a cool, dry place. Store in a tightly closed container. Store under an inert atmosphere.

Octanol/Water Partition Coefficient log Kow = 1.37

Disposal Methods SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

121-33-5 NMR Specturm

121-33-5 Mass

121-33-5 IR : CCl4 solution

121-33-5 IR : KBr disc

121-33-5 IR : nujol mull

121-33-5 13C NMR : in CDCl3

121-33-5 1H NMR : 90 MHz in CDCl3

121-33-5 Synthesis RouteMore

Total: 2 Synthesis Route

93-51-6 119 Suppliers

13990-86-8 2 Suppliers

121-33-5 598 Suppliers

Literatures:
Jiang, Jian-An; Chen, Cheng; Guo, Ying; Liao, Dao-Hua; Pan, Xian-Dao; Ji, Ya-Fei Green Chemistry, 2014 , vol. 16, # 5 p. 2807 - 2814
Yield: ~10%

93-51-6 119 Suppliers

498-00-0 95 Suppliers

121-34-6 198 Suppliers

5533-03-9 2 Suppliers

121-33-5 598 Suppliers

Literatures:
Jiang, Qing; Sheng, Wenbing; Guo, Xiangdong; Tang, Jie; Guo, Cancheng Journal of Molecular Catalysis A: Chemical, 2013 , vol. 373, p. 121 - 126
Yield: null

775-01-9 11 Suppliers

621-59-0 270 Suppliers

121-33-5 598 Suppliers

Literatures:
Organic Process Research and Development, , vol. 4, # 6 p. 534 - 543
Yield: null

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2YRS HuBei Ipure Biology co.,ltd	China	Manufacturer	1kg/Kilogram	1 USD/Gram	Contact Supplier
1YR Shanghai JOA Yunao International Trade Co.,Ltd.	China	Trading Company	1/Kilogram	1 USD/Metric Ton	Contact Supplier
1YR hebei crovell biotech co. ltd	China	Manufacturer	1/Kilogram	100 USD/Kilogram	Contact Supplier
2YRS Jilin Tely Imp & Exp Co., Ltd	China	Trading Company	1/Gram	1 USD/Gram	Contact Supplier
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10YRS Hangzhou Dayangchem Co., Ltd.	China	Manufacturer	1/Kilogram	1 USD/Kilogram	Contact Supplier
-121YR CANGZHOU ENKE PHARMA-TECH CO.,LTD	China	Manufacturer	1/Kilogram	111 USD/Kilogram	Contact Supplier
8YRS Wuhan Fortuna Chemical Co., Ltd.	China	Manufacturer	1/Kilogram	25 USD/Metric Ton	Contact Supplier
3YRS Wuhan New-Rise Biochem Co,. Ltd	China	Trading Company	1/Gram	/	Contact Supplier
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2YRS Hebei zhuangkai biotechnology co. LTD	China	Government ministry/Bureau/Commission	1/Metric Ton	/	Contact Supplier
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1YR Shanghai JOA Yunao International Trade Co.,Ltd.	China	Trading Company	1/Kilogram	1 USD/Metric Ton	Contact Supplier
2YRS HuBei Ipure Biology co.,ltd	China	Manufacturer	1kg/Kilogram	1 USD/Gram	Contact Supplier
1YR hebei crovell biotech co. ltd	China	Manufacturer	1/Kilogram	50 USD/Kilogram	Contact Supplier
8YRS Wuhan Fortuna Chemical Co., Ltd.	China	Manufacturer	10/Kilogram	/	Contact Supplier
1YR Shanghai JOA Yunao International Trade Co.,Ltd.	China	Trading Company	1/Kilogram	1 USD/Metric Ton	Contact Supplier
2YRS HuBei Ipure Biology co.,ltd	China	Manufacturer	1kg/Kilogram	1 USD/Gram	Contact Supplier

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