Basic information
- Standard SMILES
CCCc1ccc(OC)cc1- InChIKey
KBHWKXNXTURZCD-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Overview
1-Methoxy-4-propylbenzene is a member of methoxybenzenes.
Names & identifiers
- Preferred name
- 4-Propylanisole
- IUPAC
- 1-methoxy-4-propylbenzene
- English name
- 4-n-Propylanisole
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
4-Propylanisole1-Methoxy-4-propylbenzene104-45-0Dihydroanetholep-Propylanisolep-Propyl anisoleAnisole, p-propyl-Benzene, 1-methoxy-4-propyl-FEMA No. 2930DTXSID0042325932XJ1O77XNSC-37996
Show more names
FEMA 2930DIHYDROANETHOLp-propyl-anisolPropylanisol para
DTXCID8022325PARA-PROPYLANISOLERefChem:526579203-203-44-n-Propylanisolep-n-Propylanisolep-Propylmethoxybenzenep-n-Propyl anisole
Database identifiers
- CAS
104-45-0- PubChem CID
- 7702
- DTXSID
DTXSID0042325- ChEMBL
CHEMBL3185876- ChEBI
CHEBI:88473- UNII
- 932XJ1O77X
- EC Number
- 203-203-4
- Nikkaji
- J22.133C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 93
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (p-Propylanisole) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.940-0.943
Flavoring AgentsEU Flavoring substances
Solubility
Slightly soluble in water, Miscible in oils
soluble (in ethanol)
Boiling Point
212.00 to 213.00 °C. @ 760.00 mm Hg
212-213 °C
Refractive Index1.503-1.506
Physical Descriptioncolourless to pale yellow liquid, Sweet herbaceous quite powerful aroma
Physicochemical properties
- Melting point
- 45 · 45-46 °C
- Boiling point
- 215 °C · 215 °C(lit.)
- Density
- 0.941 g/mL · 0.941 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.504(lit.)
- FEMA
- 2930 · 2930 | P-PROPYLANISOLE
- FLAVIS Number
- 4.039 · 04.039 | 1-Methoxy-4-propylbenzene
- Flash point
- 194 °F · 194 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Very slightly soluble in water, soluble in alcohol and oils
- color
- Colorless liquid
- Odor
- 10 % · at 10.00 % in dipropylene glycol. sweet anise licorice sassafrass fennel
- Odor Type
- anisic
- biological source
- synthetic
- JECFA Number
- 1244 · 1244
- Major Application
- flavors and fragrances
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- 1S/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h5-8H,3-4H2,1-2H3
- InChIKey
- KBHWKXNXTURZCD-UHFFFAOYSA-N
- SMILES
- CCCc1ccc(OC)cc1
- LogP
- 3.66 · 3.66
- CAS DataBase Reference
- 104 · 104-45-0(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- P-PROPYLANISOLE
- FDA 21 CFR
- 172.515 · 172.515
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 932 XJ1O77X · 932XJ1O77X
- EPA Substance Registry System
- p-Propylanisole (104-45-0)
- UNSPSC Code
- 12164502 · 12164502
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 411 · H411
- Precautionary statements
- 273 · P273-P391-P501
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- Hazard Codes
- N
- Risk Statements
- 51 · 51/53
- Safety Statements
- 61 · 61
- RIDADR
- 3082 · UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
- WGK Germany
- 2 · 2
- RTECS
- 9450000 · BZ9450000
- TSCA
- TSCA listed
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 · Aquatic Chronic 2
- Toxicity
- 50 value · The acute oral LD50 value was reported as 4.4 g/kg (3.38-5.72 g/kg) in the rat and as 7.30 g/kg (5.93-9.00 g/kg) in the mouse (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964). The acute dermal LD50 value in rabbits was reported as > 5 g/kg (Levenstein, 1974).
- REACH Registrations
- Active
- Excepted Quantities
- Non-Hazardous
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (1538 of 1538) of all reports.
Not Classified
Aggregated GHS information provided per 1538 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzene, 1-methoxy-4-propyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 25-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25412
Benzene, 1-methoxy-4-propyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- BZ9450000
- ridadr
- UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
- Toxicity
- The acute oral LD50 value was reported as 4.4 g/kg (3.38-5.72 g/kg) in the rat and as 7.30 g/kg (5.93-9.00 g/kg) in the mouse (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964). The acute dermal LD50 value in rabbits was reported as > 5 g/kg (Levenstein, 1974).
- risk_code
- 51/53
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- hazard_code
- N
- safety_code
- 61
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H411
- Excepted Quantities
- Non-Hazardous
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Chronic 2
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Household ProductsInformation on 1 consumer products that contain Dihydroanethole in the following categories is provided:
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
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzene, 1-methoxy-4-propyl-: ACTIVE
Applications
OccurrenceReported found in katsuobishi (dried bonito).
UsesThe malerial is more stable in soap than Anethole. It finds some application in perfume compositions. particularly in low-cost masking odors for industrial purposes, detergent perfumes, household fragrances, etc. It is used in flavor compositions for Licor-ice, Rootbeer, Birchbeer, Spice blends, Vanilla imitation, Wintcrgreen, etc.
Preparation methods
PreparationBy partial hydrogenation of anethole in the presence of nickel at 60 to 95°C under pressure or under atmospheric pressure.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
Hebei baicao biology science and technology co., ltd+86-19131911055 17824879454 · [email protected]
武汉鹏垒生物科技有限公司15871464247 · [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]
Hangzhou Verychem Science And Technology Co.Ltd+86-86-57188162785 +8613606544505 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
United Life Science020-82099279 18988941402 · [email protected]
湖北冠众通科技有限公司0716-7227299 13507251920
扬州瑞宏生物科技有限公司0514-015380367604 15380367604 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
石家庄琪跃化工有限公司15369111890 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [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]
上海孟善化工有限公司21-58226973 18917146209 · [email protected]
潍坊市前进精细化工有限公司18753684562 · [email protected]
康迪斯化工(湖北)有限公司13343438265 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [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]
湖北美钡新材料有限公司18271819653 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
河北贞佳新材料有限公司0319-5925599 13315915972
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
BOC Sciences[email protected]
湖北鑫源顺医药化工有限公司027-50664929, 13971561712 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [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]
湖北诺纳科技有限公司59209883 17386169806 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
湖北东曹化学科技有限公司027-83238443 13343438265 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 400821072 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
Aladdin Scientific[email protected]
Additional notes
DefinitionChEBI: 1-Methoxy-4-propylbenzene is a member of methoxybenzenes.
Related reactions
4 records
Linked notes
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