CAS 6290-03-5 (-)-1,3-Butanediol (HCID 637497)

이름 및 식별자

우선 이름: (-)-1,3-Butanediol
IUPAC: (3R)-butane-1,3-diol
현지명: (R)-(-)-1,3-부탄디올
영어명: (R)-(-)-1,3-Butanediol
분자식: C4H10O2
분자량: 90.12

이름 및 동의어

6290-03-51,3-Butanediol, (3R)-(-)-1,3-ButanediolRefChem:407056(R)-butane-1,3-diol(R)-(-)-1,3-Butanediol(3R)-butane-1,3-diol(R)-1,3-butanediol(R)-(-)-Butane-1,3-diol(R)-(-)-1,3-Butylene GlycolMFCD00064277(R)-(-)-1,3-Dihydroxybutane

이름 더 보기

(R)-(-)-1,3-부탄디올L-Butane-1,3-diolR13BG1kg 10kg 100kg(3R)-1,3-Butanediol1,3-BUTANEDIOL, (R)

1,3-Butanediol, (R)-CHEBI:52687DTXSID001016432(R)-(-)-1,3-Butanediol, 98%AS-11116HY-77490B1159EN300-7206273

데이터베이스 식별자

CAS: 6290-03-5
PubChem CID: 637497
DTXSID: DTXSID001016432
ChEBI: CHEBI:52687
EC Number: 228-532-0
Nikkaji: J9.127H

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 6
형식 전하: 0
복잡도: 28

물리화학적 성질

녹는점: 0.07 °C · 0.07°C (estimate)
끓는 점: 107 · 107-110 °C/23 mmHg (lit.)
밀도: 1.005 g/mL · 1.005 g/mL at 25 °C (lit.)
증기 밀도: 3.1 · 3.1 (vs air)
증기압: 0.06 mm · 0.06 mm Hg ( 20 °C)
굴절률: 1.44 · 1.44
인화점: 250 °F · 250 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름, 에탄올에 용해됨
물리적 상태: 기름
산도 계수 (pKa): 14.83 · 14.83±0.20(Predicted)
색상: 투명 무색
수용성: 물에 완전히 섞임.
BRN: 1718944 · 1718944
화장품 원료 기능: 점도 조절보습제용제피부 컨디셔닝향기
InChI: 1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1
InChIKey: PUPZLCDOIYMWBV-SCSAIBSYSA-N
SMILES: C[C@@H](O)CCO
LogP: -0.9 at · -0.9 at 25℃
NIST: 1 · 1,3-Butanediol, (R)-(6290-03-5)
EPA: 1 · 1,3-Butanediol, (3R)- (6290-03-5)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 5.6% (3 of 54) of reports.

Warning

H315 (92.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (94.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (92.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 54 reports by companies.；There are 4 notifications provided by 51 of 54 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 3건

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 17-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23823；Status: No longer Valid Update: 05-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30653

1,3-Butanediol, (3R)-: Does not have an individual approval but may be used under an appropriate group standard

EPA Safer ChemicalChemical: (R)-(-)-1,3-Butanediol； Green circle - The chemical has been verified to be of low concern based on experimental and modeled data.

Hazard Classes and CategoriesSkin Irrit. 2 (92.6%)；Eye Irrit. 2A (94.4%)；STOT SE 3 (92.6%)

규제 정보

Regulatory Information · 3건

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 17-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23823；Status: No longer Valid Update: 05-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30653

1,3-Butanediol, (3R)-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: EK0440000
HS 번호: 29053920
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
기존화학 물질: KE-03789
F 고인화성물질: 3-10
위험 참고 사항: Irritant
자연 발화 온도: 741 °F
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

Use Classification · 2건

EPA Safer Chemical Functional Use Classes -> Solvents

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

General Manufacturing Information1,3-Butanediol, (3R)-: ACTIVE

응용 분야

용도(R)-(-)-1,3-Butanediol is used as a solvent for food flavoring agents and is a co-monomer used in certain polyurethane and polyester resins.

상·하류 제품 정보

상류 원료

하류 제품

(S)-(+)-1,3-부탄다이올

공급사100 곳

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

추가 설명

정의ChEBI: A butane-1,3-diol of R-configuration.

화합물 노트

불러오는 중…

(R)-(-)-1,3-부탄디올

기본 정보