3,3-Dimethylbutanoyl chloride (HCID 81514)

Names & identifiers

Preferred name: 3,3-Dimethylbutanoyl chloride
IUPAC: 3,3-dimethylbutanoyl chloride
English name: 3,3-Dimethylbutyryl chloride
Molecular formula: C6H11ClO
Molecular weight: 134.6

Names & synonyms

7065-46-53,3-dimethylbutanoyl chlorideButanoyl chloride, 3,3-dimethyl-DTXSID4064557RefChem:1065631DTXCID5046724230-356-43,3-Dimethylbutyryl chloridetert-Butylacetyl chloridet-Butylacetyl chlorideMFCD00000737Butyryl chloride, 3,3-dimethyl-

Show more names

TBACAKOS BBS-000039283,3-DimethylbutyrylbutylacetylchlorideChloroacetoacetamidesDiMethylbutyryl chloridTer-butylacetyl chloride

tert-Butyl acetyl chloride3,3-Dimethylbutanoyl chloride; 3,3-Dimethylbutanoic acid chloride; 3,3-Dimethylbutyric acid chloride; 3,3-Dimethylbutyryl chloride; Tert-butylacetyl chloride; tert-Butylacetyl chlorideneohexanoyl chlorideEINECS 230-356-4t-butylacetylchloridetertbutylacetylchloridetert-butylacetylchloridetertbutylacetyl chloride

Database identifiers

CAS: 7065-46-5
PubChem CID: 81514
DTXSID: DTXSID4064557
EC Number: 230-356-4
Nikkaji: J208.115F

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 91.2

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Boiling point: 127 · 127-129 °C (lit.)
Density: 0.969 g/mL · 0.969 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.421(lit.)
Flash point: 70 °F · 70 °F
storage temp.: 2 · 2-8°C
form: Liquid
color: Clear colorless to slightly yellow
Water Solubility: Reacts with water.
Sensitive: Moisture Sensitive
BRN: 1740421 · 1740421
InChI: InChI=1S/C6H11ClO/c1-6(2,3)4-5(7)8/h4H2,1-3H3
InChIKey: BUTKIHRNYUEGKB-UHFFFAOYSA-N
SMILES: C(Cl)(=O)CC(C)(C)C
CAS DataBase Reference: 7065 · 7065-46-5(CAS DataBase Reference)
NIST Chemistry Reference: tert-Butyl acetyl chloride(7065-46-5)
EPA Substance Registry System: 3 · Butanoyl chloride, 3,3-dimethyl- (7065-46-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 225 · H225-H315-H318
Precautionary statements: 210 · P210-P280-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 10 · 10-34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2924 · UN 2924 3/PG 2
WGK Germany: 3 · 3
F: 9 · 9-13-21
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: II
HS Code: 29159000 · 29159000
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 1 Flam · Eye Dam. 1Flam. Liq. 2Skin Irrit. 2
REACH Registrations: Active
Limited Quantities: 1 L · 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P332+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 21-03-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/12688

Butanoyl chloride, 3,3-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

F: 9-13-21
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 2924 3/PG 2
hs_code: 29159000
risk_code: 10-34
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H225-H315-H318
Limited Quantities: 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
REACH Registrations: Active
Hazard Classifications: Eye Dam. 1Flam. Liq. 2Skin Irrit. 2
Precautionary statements: P210-P280-P305+P351+P338