4-Isopropylanisole

HCID 77783
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Basic information

CAS
4132-48-3
Standard SMILES
COc1ccc(C(C)C)cc1
InChIKey
JULZQKLZSNOEEJ-UHFFFAOYSA-N
Molecular formula
C10H14O
Average molar mass
150.22 g/mol
Monoisotopic mass
150.10446507

Names & identifiers

Preferred name
4-Isopropylanisole
IUPAC
1-methoxy-4-propan-2-ylbenzene
English name
4-Isopropylanisole
Molecular formula
C10H14O
Molecular weight
150.22

Names & synonyms

4-Isopropylanisole4132-48-31-Isopropyl-4-methoxybenzene4-Methoxycumenep-IsopropylanisoleAnisole, p-isopropyl-p-Methoxycumene1-methoxy-4-propan-2-ylbenzene4ZHK779KMXp-MethoxyisopropylbenzeneBenzene, 1-methoxy-4-(1-methylethyl)-1-methoxy-4-(1-methylethyl)benzene
Show more names
4-Isopropylanisole 98%4-Isopropylanisole, 98+%2-(p-Methoxyphenyl)propane
EINECS 223-952-0ANISOLE, 4-ISOPROPYL-4-METHOXYISOPROPYLBENZENEDTXSID60194292RefChem:524329DTXCID70116783223-952-01-methoxy-4-(propan-2-yl)benzene

Database identifiers

CAS
4132-48-3
PubChem CID
77783
DTXSID
DTXSID60194292
UNII
4ZHK779KMX
EC Number
223-952-0
Nikkaji
J45.654C

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
11

Physicochemical properties

Melting point
60 · 60-61 °C
Boiling point
210 °C · 210 °C(lit.)
Density
0.935 g/mL · 0.935 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.504(lit.)
Flash point
183 °F · 183 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): 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, P317, 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 2 reports by companies from 2 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

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；Acute Tox. 4 (100%)；STOT SE 3 (50%)

Safety data

wgk
3
ridadr
NA 1993 / PGIII
hs_code
2909309090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Applications

Uses4-Isopropylanisole is an aromatic compound that is mainly used as a flavouring ingredient.

Suppliers83 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海策嵘生物科技有限公司[email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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