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1-Hexadecene

1-Hexadecene structure

CAS No:
629-73-2
Formula:
C16H32
Chemical Name:
1-Hexadecene
Synonyms:
1-Hexadecene;1-Cetene;Cetene;n-Hexadec-1-ene;α-Hexadecene;Dialen 16;1-n-Hexadecene;Neodene 16;NeoSolv 6;NSC 60602;Linealene 16;LAO-C 16;501012-99-3
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colorless liquid

Liquid

1-hexadecene is an unbranched sixteen-carbon alkene with one double bond between C-1 and C-2.

1-Hexadecene Basic Attributes

Molecular Weight：

224.43

Exact Mass：

224.43

BRN：

1753401

EC Number：

208-878-9

UNII：

97T015M2UX

NSC Number：

60602

DSSTox ID：

DTXSID1027269

Color/Form：

LEAF|COLORLESS LIQUID

HScode：

29012900

Characteristics

PSA：

XLogP3：

8.9

Appearance：

Yellow to orange-brown Crystalline Powder, Crystals and/or Chunks

Density：

0.7811 g/cm³ @ Temp: 20 °C

Melting Point：

4.1 °C

Boiling Point：

284.4 °C @ Press: 760 Torr

Flash Point：

275 °F

Refractive Index：

INDEX OF REFRACTION: 1.4412 @ 20 °C; SADTLER REFERENCE NUMBER: 4529 (IR, PRISM)

Water Solubility：

Miscible with ether, petroleum ether and alcohol. Immiscible with water.

Storage Conditions：

Store below +30°C.

Vapor Pressure：

1 mm Hg ( 105.3 °C)

Vapor Density：

7.8 (vs air)

Toxicity：

LD50 orally in Rabbit: > 2000 mg/kg LD50 dermal Rabbit > 2000 mg/kg

Explosive limit：

0.5-5.8%(V)

Experimental Properties：

WEIGHT/VOLUME CONVERSION: 9.18 MG/CU M= 1 PPM

Safety Information

wgk germany：

hazard class code：

safety instructions：

23-24/25

RTECS Number：

MM0479000

Marks：

Precautionary statement(s)：

P301+P310, P331, P405, P501

Hazard Statements：

H304

GHS Classification：

|Danger|H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]|P301+P310, P331, P405, and P501|Aggregated GHS information provided by 104 companies from 4 notifications to the ECHA C&L Inventory.|H304 (88.38%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]|P264, P280, P301+P310, P305+P351+P338, P331, P337+P313, P405, and P501|Aggregated GHS information provided by 853 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Metabolism/Metabolites：

1,2-EPOXYHEXADECANE HAS BEEN IDENTIFIED AS A METABOLITE OF HEXADEC-1-ENE IN RABBIT-LIVER MICROSOMES BY USING 1,2-EPOXYDECANE TO INHIBIT THE EPOXIDE HYDRATASE ACTIVITY; IN ITS ABSENCE ONLY 1,2-DIHYDROXYHEXADECANE WAS DETECTED.|HEXADEC-1-ENE IS OXYGENATED TO 1,2-EPOXYHEXADECANE BY RAT-LIVER MONO-OXYGENASE IN VITRO. THE COMPOUND CAUSES SKIN CARCINOMAS IN THE MOUSE. IT IS A VERY EFFECTIVE INHIBITOR OF, AND A VERY POOR SUBSTRATE FOR EPOXIDE HYDRATASE.

Biological Half-Life：

46.77 Days

MeSH Entry Terms：

cetene

1-Hexadecene Use and Manufacturing

Methods of Manufacturing

TREATMENT OF CETYL ALCOHOL WITH PHOSPHORUS PENTOXIDE.

Uses

Can be used to produce various maleic anhydride copolymers

Fuels and fuel additives|Finishing agents

Laundry and dishwashing products

Production

100,000,000 - 250,000,000 lb

Formulations：

GRADE: 95% PURITY.

Manufacturing Info：

Computed Properties

Molecular Weight:224.42
XLogP3:8.9
Rotatable Bond Count:13
Exact Mass:224.250401021
Monoisotopic Mass:224.250401021
Heavy Atom Count:16
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 629-73-2

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CAS No.: 629-73-2

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