3-Methyl-1,5-pentanediol (HCID 20524)

이름 및 식별자

우선 이름: 3-Methyl-1,5-pentanediol
IUPAC: 3-methylpentane-1,5-diol
현지명: 3-메틸-1,5-펜탄디올
영어명: 3-Methyl-1,5-pentanediol
분자식: C6H14O2
분자량: 118.17

이름 및 동의어

3-Methyl-1,5-pentanediol4457-71-01,5-Pentanediol, 3-methyl-1,5-Dihydroxy-3-methylpentaneUNII-88495M4HNSDIOL MPDBRN 1697331AI3-28481NSC 6496EINECS 224-709-188495M4HNSNSC-6496

이름 더 보기

3-메틸-1,5-펜탄디올3-메틸펜탄-1,5-다이올3-메틸-1.5-펜테인다이올3-메틸-1,5-펜타네디올1,5-Pentanediol, 3-m3-Methyl-1,5-pentadiol3-methyl-5-pentanediol3-Methyl-1,5-pentandiol5-Pentanediol,3-methyl-13-methyl-pentane-1,5-diol3-Methyl-1,5-pentanediol>3-METHYL-1,5-PENTANEDIOL 98+%

METHYL-1,5-PENTANEDIOL, 3-DTXSID1063483EC 224-709-14-01-00-02571 (Beilstein Handbook Reference)RefChem:94691DTXCID9040342224-709-1SXFJDZNJHVPHPH-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 4457-71-0
PubChem CID: 20524
DTXSID: DTXSID1063483
UNII: 88495M4HNS
EC Number: 224-709-1
Nikkaji: J34.907K

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 8
형식 전하: 0
복잡도: 39.8

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

Physical DescriptionLiquid

물리화학적 성질

녹는점: -60 °C · -60°C
끓는 점: 150 °C · 150 °C / 25mmHg
밀도: 0.974 g/mL · 0.974 g/mL at 20 °C (lit.)
증기압: 0.072 Pa · 0.072Pa at 25℃
굴절률: 20 · n20/D 1.454
인화점: 143 °C · 143°C
저장 조건: 2 · 2-30°C
물리적 상태: 투명한 액체
산도 계수 (pKa): 14.78 · 14.78±0.10(Predicted)
Specific Gravity: 0.976 · 0.976 (20/4℃)
색상: 무색의
수용성: 1000 g/L · 1000g/L at 20℃
BRN: 1697331 · 1697331
InChI: 1S/C6H14O2/c1-6(2-4-7)3-5-8/h6-8H,2-5H2,1H3
InChIKey: SXFJDZNJHVPHPH-UHFFFAOYSA-N
SMILES: CC(CCO)CCO
LogP: 0.03 at · 0.03 at 25℃
NIST: 1 · 1,5-Pentanediol, 3-methyl-(4457-71-0)
EPA: 3 · 3-Methyl-1,5-pentanediol (4457-71-0)

화학적 성질

Colorlessliquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 0.8% (1 of 131) of reports.

Warning

H319 (99.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 131 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 5건

Chemical: 1,5-Pentanediol, 3-methyl-

Regulation (EC) No 1935/2004 (amended)

1,5-Pentanediol, 3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,5-Pentanediol, 3-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 26-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/10455

1,5-Pentanediol, 3-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesEye Irrit. 2 (99.2%)

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: SA0800000
ridadr: 1987
HS 번호: 2905399590
safety_code: 23-24/25
기존화학 물질: KE-24698
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

U.S. Production2023: 50,000 - <75,000 lb

Consumer UsesIntermediate

Industry UsesMonomers

General Manufacturing Information · 2건

Printing Ink Manufacturing

1,5-Pentanediol, 3-methyl-: ACTIVE

응용 분야

용도3-Methyl-1,5-pentanediol is a reagent used in the preparation of lactones from diols using molecular oxygen oxidant and hydrotalcite-supported gold nanoparticles catalysts under mild conditions.