Basic information
- Standard SMILES
C=CCc1ccc(O)cc1- InChIKey
RGIBXDHONMXTLI-UHFFFAOYSA-N- Molecular formula
- C9H10O
- Average molar mass
- 134.17 g/mol
- Monoisotopic mass
- 134.07316494
Overview
Chavicol is a phenylpropanoid that is phenol substituted by a prop-2-enyl group at position 4. It is a phenylpropanoid and a member of phenols.
Names & identifiers
- Preferred name
- Chavicol
- IUPAC
- 4-prop-2-enylphenol
- English name
- 4-ALLYLPHENOL
- Molecular formula
- C9H10O
- Molecular weight
- 134.18
Names & synonyms
4-AllylphenolChavicol501-92-8p-Allylphenol4-prop-2-enylphenolp-HydroxyallylbenzenePhenol, 4-(2-propenyl)-Phenol, p-allyl-4-(prop-2-en-1-yl)phenol4-(2-Propenyl)phenolgamma-(p-Hydroxyphenyl)-alpha-propyleneFEMA NO. 4075
Show more names
4-(2-propenyl)-phenoEugenol EP Impurity D
Q5ER4K6969NSC-290195CHEBI:50158DTXSID60198210RefChem:575452DTXCID90120701207-929-2p-Chavicol
Database identifiers
- CAS
501-92-8- PubChem CID
- 68148
- DTXSID
DTXSID60198210- ChEMBL
CHEMBL108862- ChEBI
CHEBI:50158- UNII
- Q5ER4K6969
- EC Number
- 207-929-2
- Nikkaji
- J6.195F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 101
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (4-Allylphenol) -> IFRA transparency List
LogP2.910
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.017-1.023
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water
Soluble (in ethanol)
Boiling Point
234.00 to 236.00 °C. @ 760.00 mm Hg
235 °C
Melting Point16 °C
Refractive Index1.542-1.548
Physical Description
Liquid
Colourless liquid; Medicinal phenolic aroma
Physicochemical properties
- Melting point
- 15.8 ° · 15.8°
- Boiling point
- 760 · bp760 238°; bp16 123°
- Density
- 415 · d415 1.0203; d420 1.0175
- FEMA
- 4075 · 4075 | 4-ALLYLPHENOL
- FLAVIS Number
- 4.058 · 04.058 | 4-Allylphenol
- refractive index
- 18 · nD18 1.5441
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- form
- Liquid
- pka
- 10.24 · 10.24±0.13(Predicted)
- color
- Colorless to light yellow
- Odor
- 0.1 % · at 0.10 % in dipropylene glycol. phenolic medicinal herbal
- Odor Type
- phenolic
- JECFA Number
- 1527 · 1527
- LogP
- 2.91 · 2.91
- Substances Added to Food (formerly EAFUS)
- 4 · 4-ALLYLPHENOL
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 ER4K6969 · Q5ER4K6969
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H316
- Precautionary statements
- 261 · P261-P264-P271-P280-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P403+P233-P405-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phenol, 4-(2-propenyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Phenol, 4-(2-propenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H316
- Precautionary statements
- P261-P264-P271-P280-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P403+P233-P405-P501
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Fragrance Ingredients
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 Alpinia galanga oil (0.20%), bay leaf oil (
Uses4-Allylphenol is a useful building block naturally occurring in Syzygium aromaticum leaves. 4-Allylphenol has been used in the synthetic, regioselective preparation of gamma-lactones.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
中梦研（湖北）科技有限公司0717-6300888 18062399888 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587
云南西力生物技术股份有限公司0871-65217109 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
United Life Science020-82099279 18988941402 · [email protected]
上海辅欣医药科技有限公司021-50872116 13391048226 · [email protected]
常州宣叶科技有限公司15195022192 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海玻尔化学试剂有限公司19102157732 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
上海志信生物医药科技有限公司18701958033 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
成都塞欧斯医药科技有限公司028-64971018 18108168130
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
武汉柔博医药化工有限公司027-027-87827088 18986164924 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
湖北鑫鸣泰化学有限公司177-7179-1433 17771741533 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Additional notes
DefinitionChEBI: A phenylpropanoid that is phenol substituted by a prop-2-enyl group at position 4.
Related reactions
14 records
Linked notes
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