Basic information
- CAS
16510-27-3- Standard SMILES
COc1ccc(CC2CC2)cc1- InChIKey
SHLSJFDJYSSUIP-UHFFFAOYSA-N- Molecular formula
- C11H14O
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.10446507
Names & identifiers
- Preferred name
- 1-(Cyclopropylmethyl)-4-methoxybenzene
- IUPAC
- 1-(cyclopropylmethyl)-4-methoxybenzene
- English name
- 1-Cyclopropylmethyl-4-methoxybenzene
- Molecular formula
- C11H14O
- Molecular weight
- 162.23
Names & synonyms
1-(cyclopropylmethyl)-4-methoxybenzene16510-27-3Benzene, 1-(cyclopropylmethyl)-4-methoxy-B5O4EJ2WVYUNII-B5O4EJ2WVYDTXSID1051773FEMA NO. 4759ANISOLE, P-(CYCLOPROPYLMETHYL)-1-CYCLOPROPANEMETHYL-4-METHOXYBENZENEsassafras acetateRefChem:74662Anisole, p-(cyclopropylmethyl)
Show more names
Toscanol 0014203
DTXCID00303281-CYCLOPROPYLMETHYL-4-METHOXYBENZENECHEMBL1766831-Cyclopropylmethyl-4-methoxy-benzene1-(Cyclopropylmethyl)-4-(methyloxy)benzene4-methoxybenzylcyclopropaneSCHEMBL622656SCHEMBL8055688
Database identifiers
- CAS
16510-27-3- PubChem CID
- 6422476
- DTXSID
DTXSID1051773- ChEMBL
CHEMBL176683- UNII
- B5O4EJ2WVY
- EC Number
- 444-110-0、639-033-6
- Nikkaji
- J3.781.875E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 132
Experimental & physicochemical properties
FragrancesFragrance Ingredient (1-Cyclopropylmethyl-4-methoxybenzene) -> IFRA transparency List
Density0.9849-0.9900
Solubility
Practically insoluble to insoluble
Soluble (in ethanol)
Boiling Point238-240 °C
Refractive Index1.5228-1.5260
Physical Description
Liquid
Clear colourless liquid, Anise-like sweet, spicy aroma
Physicochemical properties
- Boiling point
- 112 · 112-113 °C(Press: 12 Torr)
- Density
- 1.042 · 1.042±0.06 g/cm3(Predicted)
- vapor pressure
- 1.13 Pa · 1.13Pa at 20℃
- FEMA
- 4759 · 4759 | 1-CYCLOPROPANEMETHYL-4-METHOXYBENZENE
- Odor
- 10 % · at 10.00 % in dipropylene glycol. sweet anisic tarragon anise spicy sassafrass black licorice root beer herbal
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (99.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1291 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Hazard information
Regulatory Information
Chemical: Benzene, 1-(cyclopropylmethyl)-4-methoxy-
Benzene, 1-(cyclopropylmethyl)-4-methoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-(cyclopropylmethyl)-4-methoxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 1-cyclopropylmethyl-4-methoxybenzene (EC: 444-110-0)
Hazard Classes and Categories
Skin Sens. 1 (99.8%)
Skin Sens. 1B (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05,GHS09
- Hazard statements
- H411-H317-H318
- REACH Registrations
- Active
- Precautionary statements
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 41,120 lb
Consumer UsesFragrance
Industry UsesFragrance
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Benzene, 1-(cyclopropylmethyl)-4-methoxy-: ACTIVE
Suppliers14 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
吉良化学21-62165282 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
湖北东曹化学科技有限公司027-83238443 13343438265 · [email protected]
成都圣美凯生物科技有限公司028-85157043 15882256948 · [email protected]
Related reactions
1 records
Compound notes
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