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4-Caproylresorcinol

4-Caproylresorcinol structure

CAS No:
3144-54-5
Formula:
C12H16O3
Chemical Name:
4-Caproylresorcinol
Synonyms:
1-Hexanone,1-(2,4-dihydroxyphenyl)-;Hexanophenone,2′,4′-dihydroxy-;1-(2,4-Dihydroxyphenyl)-1-hexanone;4-Caproylresorcinol;2′,4′-Dihydroxycaprophenone;2′,4′-Dihydroxyhexanophenone;NSC 163332;4-Hexanoylresorcinol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

1-(2,4-dihydroxyphenyl)-1-hexanone is an aromatic ketone.

4-Caproylresorcinol Basic Attributes

Molecular Weight：

208.257

Exact Mass：

208.25

EC Number：

221-555-7

UNII：

4ZA8TZ29E2

NSC Number：

163332

HScode：

2914501900

Characteristics

PSA：

57.5

XLogP3：

2.86080

Appearance：

solid or liquid

Density：

1.132 g/cm3

Melting Point：

57 °C

Boiling Point：

343 °C

Flash Point：

>110ºC

Refractive Index：

1.55

Storage Conditions：

Keep tightly closed. Store in a cool dry place.

Safety Information

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:208.25
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:208.109944368
Monoisotopic Mass:208.109944368
Topological Polar Surface Area:57.5
Heavy Atom Count:15
Complexity:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 4-Caproylresorcinol

Hangzhou Chungyo Chemicals Co., Ltd. Contact Supplier

CN
3 YRS

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4-Hexanoylresorcinol

CAS No.: 3144-54-5

Grade: pharmaceutical grade

Content: 98%

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