Basic information
- CAS
6638-05-7- Standard SMILES
COc1cc(C)cc(OC)c1O- InChIKey
ZFBNNSOJNZBLLS-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Names & identifiers
- Preferred name
- 4-Methyl-2,6-dimethoxyphenol
- IUPAC
- 2,6-dimethoxy-4-methylphenol
- English name
- 2,6-DIMETHOXY-4-METHYLPHENOL
- Molecular formula
- C9H12O3
- Molecular weight
- 168.19
Names & synonyms
2,6-Dimethoxy-4-methylphenol6638-05-74-Methyl-2,6-dimethoxyphenol4-MethylsyringolPhenol, 2,6-dimethoxy-4-methyl-2,6-Dimethoxy-p-cresol3,5-Dimethoxy-4-hydroxytoluenep-Cresol, 2,6-dimethoxy-4-Hydroxy-3,5-dimethoxytolueneFJJ5MYE75WFEMA No. 37042,6-DIMETHOXY-4-CRESOL
Show more names
FEMA 3704Syringol, 4-methyl2,6-dimethoxy-4-methyl-phenoMethylsyringol, 10 mM in DMSO
DTXSID10216599EINECS 229-641-6UNII-FJJ5MYE75WNSC-479011-Methyl-3,5-dimethoxy-4-hydroxybenzeneNSC 479014-METHYL-2,6-DIMETHOXYPHENOL [FHFI]RefChem:99717
Database identifiers
- CAS
6638-05-7- PubChem CID
- 240925
- DTXSID
DTXSID10216599- ChEMBL
CHEMBL205268- ChEBI
CHEBI:172423- UNII
- FJJ5MYE75W
- EC Number
- 229-641-6
- Nikkaji
- J27.322H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 124
Experimental & physicochemical properties
Solubility
insoluble in water; soluble in fat
moderately soluble (in ethanol)
Boiling Point
145.00 to 146.00 °C. @ 14.00 mm Hg
145-146 °C (12 mm Hg)
Melting Point36 °C
Physical Description
Solid
Pale yellow semi-solid, phenolic medicinal odour
Kovats Retention Index
1473；1403；1473；1404.4
1447.5；1447.1；1451.3；1442.9
2350；2349；2332；2316.5；2343.9；2359.2
Physicochemical properties
- Melting point
- 37 · 37-42 °C(lit.)
- Boiling point
- 145 · 145-146 °C14 mm Hg(lit.)
- Density
- 1.105 · 1.105±0.06 g/cm3(Predicted)
- FEMA
- 3704 · 3704 | 4-METHYL-2,6-DIMETHOXYPHENOL
- FLAVIS Number
- 4.053 · 04.053 | 4-Methyl-2,6-dimethoxyphenol
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- pka
- 10.29 · 10.29±0.23(Predicted)
- form
- powder to lump to clear liquid
- color
- White or Colorless to Light orange to Yellow
- Odor
- 10 % · at 10.00 % in dipropylene glycol. phenolic smoke medicinal woody spice eugenol root caramel
- Odor Type
- phenolic
- biological source
- synthetic
- Water Solubility
- Slightly soluble in water.
- JECFA Number
- 722 · 722
- Henry's Law Constant
- 3.8 · 3.8×101 mol/(m3Pa) at 25℃, McFall et al. (2020)
- Major Application
- flavors and fragrances
- InChI
- 1S/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3
- InChIKey
- ZFBNNSOJNZBLLS-UHFFFAOYSA-N
- SMILES
- COc1cc(C)cc(OC)c1O
- LogP
- 1.23 · 1.23
- CAS DataBase Reference
- 6638 · 6638-05-7(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- 4 · 4-METHYL-2,6-DIMETHOXYPHENOL
- FDA UNII
- 5 MYE75W · FJJ5MYE75W
- UNSPSC Code
- 12164502 · 12164502
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HS Code
- 29095000 · 29095000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (78.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (99.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 212 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Phenol, 2,6-dimethoxy-4-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Phenol, 2,6-dimethoxy-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (78.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (99.5%)
Regulatory information
Regulatory Information
Chemical: Phenol, 2,6-dimethoxy-4-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Phenol, 2,6-dimethoxy-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29095000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm；Extracellular
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
OccurrenceReported found in dried bonito, smoked pork belly, smoked sausage, natural smoke flavor, cured and uncured pork, beer, cuttlefish and smoked fish.
UsesUsed as a flavor and fragrance agents.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers80 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
北京大田丰拓化学技术有限公司13651141086 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
常州环灵化工有限公司89803005 18206112582 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
常州言己生物科技有限公司0519-83556355 18015005120 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
R&D Scientific Inc.+1-2266000236 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
BOC Sciences[email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
诺坦药业（启东）有限公司13906246579 13906246579 · [email protected]
Additional notes
DefinitionChEBI: 2,6-Dimethoxy-4-methylphenol is a member of methoxybenzenes and a member of phenols.
Related reactions
11 records
Compound notes
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