1-氯-3-甲基-2-丁烯

Description

1-Chloro-3-methyl-2-butene · CAS 503-60-6 · C5H9Cl. UNII KMT7V9LLBR. Boiling Point: 109 °C @ 760 MM HG; Density: 0.9273 @ 20 °C/4 °C.

Identification

CAS Registry Number	503-60-6
PubChem CID	10429
Molecular formula	C5H9Cl
IUPAC name	1-chloro-3-methylbut-2-ene
UNII (FDA)	KMT7V9LLBR

Computed Descriptors

Molecular Weight	104.58
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	104.0392780
Monoisotopic Mass	104.0392780
Topological Polar Surface Area	0
Heavy Atom Count	6
Formal Charge	0

Physical & Chemical Properties

Boiling Point	109 °C @ 760 MM HG
Density	0.9273 @ 20 °C/4 °C

Physical description & handling notes

• Colorless liquid; [MSDSonline]
• INSOL IN WATER; SOL IN ALCOHOL, ETHER, ACETONE; VERY SOL IN CHLOROFORM
• INDEX OF REFRACTION: 1.4485 @ 20 °C/D

GHS Hazard Classification

Reported hazard statements	H225 (98.3%), H315 (100%), H319 (100%), H335 (98.3%)

Documented Uses

• 2-Butene, 1-chloro-3-methyl-: ACTIVE
• THE PREPN & USE OF 5-OXA-2-METHYL-7-PHENYL-2-HEPTENE IN PERFUME COMPOSITIONS IS DESCRIBED.
• THE INSECT ATTRACTANT CONTAINS ADDUCTS OF ISOPRENE & HYDROCHLORIC ACID, WHICH ARE EFFECTIVE TO BEE & HORSEFLY. 100 ML ISOPRENE IS TREATED WITH 0.55 MOLE EQUIV OF HYDROCHLORIC ACID @ 0 °C TO GIVE THE ADDUCT, WHICH IS A MIXT CONTAINING 63% 3-CHLORO-3-METHYL-1-BUTENE, 32% 1-CHLORO-3-METHYL-2-BUTENE, & OTHER MINOR COMPONENTS.
• SUBSTITUTED CYCLOHEXANE OR CYCLOHEXENE ALC OR KETONES ARE PREPD & USED AS ODOR-MODIFYING INGREDIENTS IN PERFUMES.
• TERPENE ALCOHOLS ARE ANTIFOULING AGENTS.
• TERPENE CARBONYLS AS BACTERICIDES AND FUNGICIDES

Synonyms

1-CHLORO-3-METHYL-2-BUTENE; 503-60-6; 1-Chloro-3-methylbut-2-ene; Prenyl chloride; 2-Butene, 1-chloro-3-methyl-; 3,3-Dimethylallyl chloride; 3-Methyl-2-butenyl chloride; 3-Methylcrotyl chloride; 1-chloro-3-methyl-but-2-ene; KMT7V9LLBR; UNII-KMT7V9LLBR; HSDB 6129; gamma,gamma-Dimethylallyl chloride; Isoprenyl chloride; EINECS 207-972-7; 4-Chloro-2-methyl-2-butene

Frequently Asked Questions

What are the CAS number and molecular formula of 1-Chloro-3-methyl-2-butene?

CAS 503-60-6; molecular formula C5H9Cl; molecular weight — g/mol.

What other names is 1-Chloro-3-methyl-2-butene known by?

1-CHLORO-3-METHYL-2-BUTENE, 503-60-6, 1-Chloro-3-methylbut-2-ene, Prenyl chloride, 2-Butene, 1-chloro-3-methyl-, 3,3-Dimethylallyl chloride.

Is 1-Chloro-3-methyl-2-butene classified as hazardous?

Hazard statements reported: H225, H315, H319, H335.

What are the key physical properties of 1-Chloro-3-methyl-2-butene?

Boiling Point: 109 °C @ 760 MM HG; Density: 0.9273 @ 20 °C/4 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.